William H. Green | Academic Influence

William H. Green's AcademicInfluence.com Rankings

William H. Green

Computer Science

#4294

World Rank

#4519

Historical Rank

#1440

USA Rank

Computational Linguistics

#522

World Rank

#530

Historical Rank

#30

USA Rank

Machine Learning

#975

World Rank

#990

Historical Rank

#92

USA Rank

Artificial Intelligence

#1268

World Rank

#1292

Historical Rank

#205

USA Rank

computer-science Degrees

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Computer Science

William H. Green's Degrees

PhD Computer Science Stanford University
Masters Computer Science University of California, Berkeley
Bachelors Computer Science University of California, Berkeley

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Why Is William H. Green Influential?

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According to Wikipedia, William H. Green Jr. , is a Hoyt C. Hottel Professor of Chemical Engineering at the Massachusetts Institute of Technology, working in the field of chemical reaction engineering. His research largely focuses on using computers to accurately predict the products and time evolution of systems of reacting chemicals. He has been recognized for “developing and disseminating methods for predictive chemical kinetics based on quantum chemistry”. He published approximately 300 journal papers and book chapters, which have been cited more than 13,000 times.

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William H. Green's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms (2016) (428)
Prediction of Organic Reaction Outcomes Using Machine Learning (2017) (427)
A robotic platform for flow synthesis of organic compounds informed by AI planning (2019) (379)
Machine Learning in Computer-Aided Synthesis Planning. (2018) (336)
A graph-convolutional neural network model for the prediction of chemical reactivity† †Electronic supplementary information (ESI) available: Additional model and dataset details, results, discussion, and ref. 38 and 39. See DOI: 10.1039/c8sc04228d (2018) (323)
White Phosphors from a Silicate-Carboxylate Sol-Gel Precursor That Lack Metal Activator Ions (1997) (297)
Convolutional Embedding of Attributed Molecular Graphs for Physical Property Prediction. (2017) (289)
Detailed modeling of PAH and soot formation in a laminar premixed benzene/oxygen/argon low-pressure flame (2005) (271)
Comprehensive reaction mechanism for n-butanol pyrolysis and combustion (2011) (238)
High‐gradient magnetic separation of coated magnetic nanoparticles (2004) (226)
Intramolecular hydrogen migration in alkylperoxy and hydroperoxyalkylperoxy radicals: accurate treatment of hindered rotors. (2010) (210)
Computational Investigation of Thermochemistry and Kinetics of Steam Methane Reforming on Ni(111) under Realistic Conditions (2009) (209)
Role of O2 + QOOH in low-temperature ignition of propane. 1. Temperature and pressure dependent rate coefficients. (2012) (205)
Computer-Assisted Retrosynthesis Based on Molecular Similarity (2017) (198)
Reactivity and stability investigation of supported molybdenum oxide catalysts for the hydrodeoxygenation (HDO) of m-cresol (2015) (179)
Rate-Based Construction of Kinetic Models for Complex Systems (1997) (178)
Using Machine Learning To Predict Suitable Conditions for Organic Reactions (2018) (178)
Optimally-reduced kinetic models: reaction elimination in large-scale kinetic mechanisms (2003) (168)
Database of small molecule thermochemistry for combustion. (2012) (157)
New pathways for formation of acids and carbonyl products in low-temperature oxidation: the Korcek decomposition of γ-ketohydroperoxides. (2013) (136)
Water-Based Magnetic Fluids as Extractants for Synthetic Organic Compounds (2002) (132)
SCScore: Synthetic Complexity Learned from a Reaction Corpus (2018) (130)
Formation of polycyclic aromatic hydrocarbons and their radicals in a nearly sooting premixed benzene flame (2000) (125)
Transition States and Rate Constants for Unimolecular Reactions (1992) (124)
Anharmonic corrections to vibrational transition intensities (1990) (116)
Bond breaking without barriers: Photofragmentation of ketene at the singlet threshold (1988) (115)
Dramatic Solvent Effects on the Absolute Rate Constants for Abstraction of the Hydroxylic Hydrogen Atom from tert-Butyl Hydroperoxide and Phenol by the Cumyloxyl Radical. The Role of Hydrogen Bonding (1995) (114)
Understanding low-temperature first-stage ignition delay: Propane (2015) (113)
Automatic reaction network generation using RMG for steam cracking of n‐hexane (2006) (113)
Reaction Rate Prediction via Group Additivity Part 1: H Abstraction from Alkanes by H and CH3 (2001) (112)
Upper bound on the yield for oxidative coupling of methane (2003) (111)
Electronic Structures and Geometries of C60 Anions via Density Functional Calculations (1996) (109)
Automated Discovery of Elementary Chemical Reaction Steps Using Freezing String and Berny Optimization Methods. (2015) (109)
An adaptive chemistry approach to modeling complex kinetics in reacting flows (2003) (105)
Anharmonic vibrational properties of CH2F2 : A comparison of theory and experiment (1991) (104)
Capturing pressure‐dependence in automated mechanism generation: Reactions through cycloalkyl intermediates (2003) (97)
Global solution of semi-infinite programs (2005) (96)
Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis (2020) (96)
Upgrading and desulfurization of heavy oils by supercritical water (2015) (94)
Vibrational Deactivation of HF(v=1) in Pure HF and in HF‐Additive Mixtures (1972) (94)
Measurement of CO(ν = 1) vibrational energy transfer rates using a frequency‐doubled CO2 laser (1973) (93)
High-temperature oxidation chemistry of n-butanol--experiments in low-pressure premixed flames and detailed kinetic modeling. (2011) (92)
Mechanism Generation with Integrated Pressure Dependence: A New Model for Methane Pyrolysis (2003) (92)
Global dynamic optimization for parameter estimation in chemical kinetics. (2006) (91)
RPMDrate: Bimolecular chemical reaction rates from ring polymer molecular dynamics (2013) (89)
Learning only buys you so much: Practical limits on battery price reduction (2019) (86)
Automatic estimation of pressure-dependent rate coefficients. (2012) (86)
RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application (2019) (85)
Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction (2020) (85)
Reaction Rate Prediction via Group Additivity, Part 2: H-Abstraction from Alkenes, Alkynes, Alcohols, Aldehydes, and Acids by H Atoms (2001) (82)
Computational Investigation of the Thermochemistry and Kinetics of Steam Methane Reforming Over a Multi-Faceted Nickel Catalyst (2011) (82)
The prediction of spectroscopic properties from quartic correlated force fields: HCCF, HFCO, SiH+3 (1990) (81)
Thermodynamic Properties and Kinetic Parameters for Cyclic Ether Formation from Hydroperoxyalkyl Radicals (2003) (80)
Vibration-rotation coordinates and kinetic energy operators for polyatomic molecules (1991) (80)
Supercritical water desulfurization of organic sulfides is consistent with free-radical kinetics (2013) (79)
Accurate High-Temperature Reaction Networks for Alternative Fuels: Butanol Isomers (2010) (78)
Computer Construction of Detailed Chemical Kinetic Models for Gas-Phase Reactors (2001) (76)
JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation (2015) (75)
Toward a comprehensive model of the synthesis of TiO2 particles from TiCl4 (2007) (74)
Direct kinetic measurements of reactions between the simplest Criegee intermediate CH2OO and alkenes. (2014) (74)
A detailed combined experimental and theoretical study on dimethyl ether/propane blended oxidation (2016) (74)
Accurate and efficient method for predicting thermochemistry of polycyclic aromatic hydrocarbons - bond-centered group additivity. (2004) (73)
Metadata in the Collaboratory for Multi-Scale Chemical Science (2003) (71)
Theoretical rate coefficients for allyl + HO2 and allyloxy decomposition (2011) (70)
On upgrading the numerics in combustion chemistry codes (2002) (70)
Combustion and pyrolysis of iso-butanol: Experimental and chemical kinetic modeling study (2013) (70)
Rate coefficients and kinetic isotope effects of the X + CH4 → CH3 + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics. (2013) (70)
Theoretical assignment of the visible spectrum of singlet methylene (1991) (70)
Computed rate coefficients and product yields for c-C5H5 + CH3 --> products. (2009) (70)
A Collaborative Informatics Infrastructure for Multi-Scale Science (2004) (69)
Detailed Kinetic Study of the Growth of Small Polycyclic Aromatic Hydrocarbons. 1. 1-Naphthyl + Ethyne † (2001) (68)
First-principles thermochemistry for the production of TiO2 from TiCl4. (2007) (68)
Kinetic model for polycrystalline Pd/PdOx in oxidation/reduction cycles (2003) (68)
A perturbation theory guide to open‐shell complexes: OH–Ar(X 2Π) (1992) (67)
Unimolecular Reaction Pathways of a γ-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods. (2018) (67)
Interval Methods for Semi-Infinite Programs (2005) (67)
Direct Determination of the Simplest Criegee Intermediate (CH2OO) Self Reaction Rate. (2014) (66)
Kinetic anharmonic coupling in the trihalomethanes: A mechanism for rapid intramolecular redistribution of CH stretch vibrational energy (1987) (66)
Deep Learning of Activation Energies (2020) (66)
The electrostatic origin of Abraham's solute polarity parameter. (2005) (65)
Detailed Kinetic Modeling of Iron Nanoparticle Synthesis from the Decomposition of Fe(CO)5 (2007) (64)
Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O((3)P) + CH4 → OH + CH3 Reaction: Contributions of Quantum Effects. (2013) (64)
Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation (2020) (64)
Accelerating multi-dimensional combustion simulations using GPU and hybrid explicit/implicit ODE integration (2012) (64)
The application of optical coherence tomography to problems in polymer matrix composites (2001) (63)
Redesigning combustion modeling algorithms for the Graphics Processing Unit (GPU): Chemical kinetic rate evaluation and ordinary differential equation integration (2011) (61)
Basic Research Needs for Clean and Efficient Combustion of 21st Century Transportation Fuels (2006) (60)
Predicting solvation energies for kinetic modeling (2010) (60)
The role of catalyst in supercritical water desulfurization (2014) (59)
Opposition to aerial 1080 poisoning for control of invasive mammals in New Zealand: risk perceptions and agency responses (2012) (59)
Laser‐Excited Vibrational Relaxation Studies of Hydrogen Fluoride (1972) (58)
Structural Properties and Reactivity Trends of Molybdenum Oxide Catalysts Supported on Zirconia for the Hydrodeoxygenation of Anisole (2017) (58)
Rigorous valid ranges for optimally reduced kinetic models (2006) (57)
Economic and environmental benefits of higher-octane gasoline. (2014) (56)
Stress Test for Quantum Dynamics Approximations: Deep Tunneling in the Muonium Exchange Reaction D + HMu → DMu + H. (2014) (56)
A coordinated investigation of the combustion chemistry of diisopropyl ketone, a prototype for biofuels produced by endophytic fungi (2014) (55)
Coupling of CH stretching and bending vibrations in trihalomethanes (1987) (55)
Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics (2019) (54)
Oxygenate, oxyalkyl and alkoxycarbonyl thermochemistry and rates for hydrogen abstraction from oxygenates (2003) (54)
Prediction of the Knock Limit and Viable Operating Range for a Homogeneous-Charge Compression-Ignition (HCCI) Engine (2003) (54)
Vibrational Spectra and Structure of Four‐Membered Ring Molecules. III. Bromocyclobutane, Bromocyclobutane‐d1, Bromocyclobutane‐d4, and Bromocyclobutane‐d5 (1967) (54)
Quantum rate coefficients and kinetic isotope effect for the reaction Cl + CH4 → HCl + CH3 from ring polymer molecular dynamics. (2014) (53)
Reaction Rate Predictions Via Group Additivity. Part 3: Effect of Substituents with CH2 as the Mediator (2002) (52)
A detailed kinetic model for combustion synthesis of titania from TiCl4 (2009) (52)
Accurate Thermochemistry with Small Data Sets: A Bond Additivity Correction and Transfer Learning Approach. (2019) (52)
Oxidative Desulfurization of Middle-Distillate Fuels Using Activated Carbon and Power Ultrasound (2012) (51)
Design and implementation of a next-generation software interface for on-the-fly quantum and force field calculations in automated reaction mechanism generation (2012) (51)
Using adaptive proper orthogonal decomposition to solve the reaction--diffusion equation (2007) (50)
Elementary Reaction Mechanism for Benzene Oxidation in Supercritical Water (2000) (50)
Predictive Kinetics: A New Approach for the 21st Century (2010) (50)
Theoretical kinetics study of the O(³P) + CH₄/CD₄ hydrogen abstraction reaction: the role of anharmonicity, recrossing effects, and quantum mechanical tunneling. (2014) (50)
A consistent-splitting approach to computing stiff steady-state reacting flows with adaptive chemistry (2003) (50)
Ab initio screening of metal sorbents for elemental mercury capture in syngas streams (2010) (49)
Combining experiment and theory to elucidate the role of supercritical water in sulfide decomposition. (2014) (49)
Chemically activated formation of organic acids in reactions of the Criegee intermediate with aldehydes and ketones. (2013) (49)
Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry (2019) (49)
Pressure dependent kinetic analysis of pathways to naphthalene from cyclopentadienyl recombination (2018) (48)
Detailed chemical kinetic modeling of JP-10 (exo- tetrahydrodicyclopentadiene) high-temperature oxidation: Exploring the role of biradical species in initial decomposition steps (2012) (48)
Comparison of optical coherence tomography, x-ray computed tomography, and confocal microscopy results from an impact damaged epoxy/e-glass composite (2002) (48)
The predictive capability of an automatically generated combustion chemistry mechanism: Chemical structures of premixed iso-butanol flames (2013) (48)
Vibrational deactivation of carbon monoxide by hydrogen and nitrogen from 100 to 650 °K (1974) (48)
Spectra and Structure of Small Ring Compounds. XX. Fluorocyclobutane (1971) (46)
Experimental and Modeling Study on the Thermal Decomposition of Jet Propellant-10 (2014) (45)
GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles (2021) (45)
Perspective on Mechanism Development and Structure-Activity Relationships for Gas-Phase Atmospheric Chemistry (2018) (45)
Exchange-correlation functionals from ab initio electron densities (1997) (45)
Minimizing E-factor in the continuous-flow synthesis of diazepam and atropine. (2017) (45)
Kinetic Modeling of Jet Propellant-10 Pyrolysis (2015) (45)
Small scale sanitation technologies. (2005) (44)
MA1 - Laser-excited vibrational energy transfer studies of HF, CO, and NO (1973) (44)
Modeling of 1,3-hexadiene, 2,4-hexadiene and 1,4-hexadiene-doped methane flames: Flame modeling, benzene and styrene formation (2010) (44)
Ab initio prediction of fundamental, overtone and combination band infrared intensities (1990) (42)
Steam methane reforming on a Ni-based bimetallic catalyst: density functional theory and experimental studies of the catalytic consequence of surface alloying of Ni with Ag (2017) (41)
Bond‐breaking without barriers. II. Vibrationally excited products (1991) (41)
Ab initio aqueous thermochemistry: application to the oxidation of hydroxylamine in nitric acid solution. (2007) (41)
Ring-polymer molecular dynamics: rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2) → HX + H(X = C(1D), S(1D)). (2014) (40)
Measurement of the rate of excitation and deactivation of OCS(001), N2O(001), CS2(001), and C2N2(00100) using laser excited CO as a pumping source (1974) (39)
Reaction of phenyl radical with propylene as a possible source of indene and other polycyclic aromatic hydrocarbons: an ab initio/RRKM-ME study. (2012) (39)
Experimental and modeling study of the mutual oxidation of N-pentane and nitrogen dioxide at low and high temperatures in a jet stirred reactor (2018) (38)
A study of the ground electronic state of the isomers of CHNO (1993) (37)
Thermodynamic Properties of Ketenes: Group Additivity Values from Quantum Chemical Calculations (2002) (36)
Who gets in (1991) (36)
Optimal automatic reaction and species elimination in kinetic mechanisms (2008) (36)
Which Ab Initio Wave Function Methods Are Adequate for Quantitative Calculations of the Energies of Biradicals? The Performance of Coupled-Cluster and Multi-Reference Methods Along a Single-Bond Dissociation Coordinate. (2013) (36)
Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry. (2019) (36)
Balanced Splitting and Rebalanced Splitting (2013) (35)
Ring‐Puckering Vibration of 2,3‐Dihydrofuran (1969) (35)
Understanding Unimolecular Dissociations with Loose Transition States: Photofragmentation Dynamics of Ketene at the Singlet Threshold (1988) (35)
Obtaining accurate solutions using reduced chemical kinetic models: a new model reduction method for models rigorously validated over ranges (2007) (35)
Response of different types of sulfur compounds to oxidative desulfurization of jet fuel (2014) (34)
Transfer learning for solvation free energies: From quantum chemistry to experiments (2020) (34)
Vibrational Spectra and Structure of Dimethyl Diselenide and Dimethyl Diselenide‐d6 (1968) (34)
Structure of polymer-stabilized magnetic fluids: small-angle neutron scattering and mean-field lattice modeling. (2004) (34)
Investigating the techno‐economic trade‐offs of hydrogen source using a response surface model of drop‐in biofuel production via bio‐oil upgrading (2012) (34)
Transition to electric vehicles in China: Implications for private motorization rate and battery market (2020) (33)
The Underlying Physics and Chemistry behind Fuel Sensitivity (2010) (33)
Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors (2020) (32)
Application of Computational Kinetic Mechanism Generation to Model the Autocatalytic Pyrolysis of Methane (2003) (32)
Ring‐Puckering Vibration of 2,5‐Dihydrothiophene (1968) (31)
Co-oxidation of methylphosphonic acid and ethanol in supercritical water II: Elementary reaction rate model (2006) (31)
Temperature and Molecular Size Dependence of the High-Pressure Limit (2003) (31)
Thermochemical production of hydrogen from hydrogen sulfide with iodine thermochemical cycles (2018) (30)
Group Contribution and Machine Learning Approaches to Predict Abraham Solute Parameters, Solvation Free Energy, and Solvation Enthalpy (2021) (30)
Screening of metal oxides and metal sulfides as sorbents for elemental mercury at elevated temperatures (2012) (30)
Pulsed‐Discharge‐Initiated Chemical Lasers. III. Complete Population Inversion in HF (1971) (30)
The engine reformer: Syngas production in an engine for compact gas-to-liquids synthesis (2016) (29)
Modeling study of the anti-knock tendency of substituted phenols as additives: an application of the reaction mechanism generator (RMG). (2018) (28)
Iterative Experimental Design Based on Active Machine Learning Reduces the Experimental Burden Associated with Reaction Screening (2020) (28)
Missing Thermochemical Groups for Large Unsaturated Hydrocarbons: Contrasting Predictions of G2 and CBS-Q (2002) (28)
New vibrational bands of CH2 (b̃1B1) (1989) (28)
An extensible framework for capturing solvent effects in computer generated kinetic models. (2013) (27)
Photophysical characterization of fluorenone derivatives (1997) (27)
A Signature of Roaming Dynamics in the Thermal Decomposition of Ethyl Nitrite: Chirped-Pulse Rotational Spectroscopy and Kinetic Modeling. (2014) (26)
On the one-dimensional recovery and microstructural evaluation of shocked alumina (2006) (26)
Spectroscopic Determination of the Pseudorotation Barrier in Selenacyclopentane (1971) (26)
Analysis of Membrane and Adsorbent Processes for Warm Syngas Cleanup in Integrated Gasification Combined-Cycle Power with CO2 Capture and Sequestration (2011) (26)
Measurements and automated mechanism generation modeling of OH production in photolytically initiated oxidation of the neopentyl radical. (2007) (26)
Influence of the double bond position on the oxidation of decene isomers at high pressures and temperatures (2015) (26)
Raman and Far-Infrared Spectra of Some Four-Membered Ring Molecules (1966) (25)
Crossed beam reaction of phenyl and D5-phenyl radicals with propene and deuterated counterparts--competing atomic hydrogen and methyl loss pathways. (2012) (25)
Temperature-dependent kinetics of the vinyl radical (C2H3) self-reaction. (2009) (24)
An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation: AN EXTENDED GROUP ADDITIVITY METHOD FOR POLYCYCLIC THERMOCHEMISTRY ESTIMATION (2018) (24)
Generating transition states of isomerization reactions with deep learning. (2020) (24)
Vibrational deactivation rates of HF(ν = 1) by CH4, C2H6, C3H8, C4H10, C3H6, and ClF3 (1973) (24)
Kinetic analysis and reaction mechanism for anisole conversion over zirconia-supported molybdenum oxide (2019) (24)
Pulsed‐Discharge‐Initiated Chemical Lasers. I. HF Laser Emission from CHF2Cl, CHFCl2, CHF3, and CF2Cl2–H2 Systems (1970) (24)
Vibrational spectra and structure of small ring compounds—IX: Cyclobutanol, cyclobutanol-d1 cyclobutanol-d4, and cyclobutanol-d5 (1969) (23)
Temperature- and Pressure-Dependent Kinetics of CH2OO + CH3COCH3 and CH2OO + CH3CHO: Direct Measurements and Theoretical Analysis (2016) (23)
Modeling of aromatics formation in fuel-rich methane oxy-combustion with an automatically generated pressure-dependent mechanism. (2019) (23)
Predicted reaction rates of H(x)N(y)O(z) intermediates in the oxidation of hydroxylamine by aqueous nitric acid. (2008) (23)
Analysis of Adsorbent-Based Warm CO2 Capture Technology for Integrated Gasification Combined Cycle (IGCC) Power Plants (2014) (22)
Ring‐Puckering Data from the Mid‐infrared (1970) (22)
Automated Reaction Mechanism Generation Including Nitrogen as a Heteroatom (2018) (22)
Predictive chemical kinetics: Density functional and hartree–fock calculations on free-radial reaction transition states (1994) (22)
Valid parameter range analyses for chemical reaction kinetic models (2002) (22)
Supercritical Water Treatment of Crude Oil and Hexylbenzene: An Experimental and Mechanistic Study on Alkylbenzene Decomposition (2015) (22)
Rule based ab initio kinetic model for alkyl sulfide pyrolysis (2015) (22)
Rate-based screening of pressure-dependent reaction networks (2001) (22)
Experimental study of catalyst nanoparticle and single walled carbon nanotube formation in a controlled premixed combustion (2008) (22)
Experimental Investigation of Sorbent for Warm CO2 Capture by Pressure Swing Adsorption (2013) (22)
The influence of marangoni surface elasticity on gas mobility reductions by foams in porous media (1995) (22)
An Experimental and Modeling Study of Vacuum Residue Upgrading in Supercritical Water (2018) (21)
Automatic Generation of Detailed Mechanisms (2013) (21)
Micro‐syngas technology options for GtL (2016) (21)
Automatic mechanism generation for pyrolysis of di-tert-butyl sulfide. (2016) (21)
PREDICTION OF PERFORMANCE MAPS FOR HOMOGENEOUS-CHARGE COMPRESSION-IGNITION ENGINES (2004) (21)
Global optimization algorithms for semi-infinite and generalized semi-infinite programs (2008) (20)
Computational Investigation on Hydrodeoxygenation (HDO) of Acetone to Propylene on α-MoO3 (010) Surface (2017) (20)
Co-oxidation of ammonia and ethanol in supercritical water, part 2: Modeling demonstrates the importance of H2NNOx (2008) (20)
Detailed Experimental and Kinetic Modeling Study of Cyclopentadiene Pyrolysis in the Presence of Ethene (2018) (20)
An absolute differential maximum bubble pressure surface tensiometer employing displaced capillaries (1992) (19)
Analysis of an elementary reaction mechanism for benzene oxidation in supercritical water (2000) (19)
CCII.—Studies on the viscosity and conductivity of some aqueous solutions. Part I. Solutions of sucrose, hydrogen chloride, and lithium chloride (19)
Predicting chemical kinetics with computational chemistry: is QOOH→HOQO important in fuel ignition? (2004) (19)
Cleavage of Side Chains on Thiophenic Compounds by Supercritical Water Treatment of Crude Oil Quantified by Two-Dimensional Gas Chromatography with Sulfur Chemiluminescence Detection (2014) (19)
Electrochemiluminescence from porous silicon in formic acid liquid‐junction cells (1995) (19)
Machine Learning of Reaction Properties via Learned Representations of the Condensed Graph of Reaction (2021) (19)
Pressure and temperature dependence of the reaction of vinyl radical with ethylene. (2007) (18)
Modelling gas-phase synthesis of single-walled carbon nanotubes on iron catalyst particles (2008) (18)
Direct Measurement of the Fast, Reversible Addition of Oxygen to Cyclohexadienyl Radicals in Nonpolar Solvents (2004) (18)
The low-frequency vibrations of molecular crystals. IV. boric acid (1968) (17)
Pulsed discharge initiated chemical lasers - Part II: HF laser emission from NF 3 and N 2 F 4 systems (1971) (17)
HYDROGEN ABSTRACTION RATES VIA DENSITY FUNCTIONAL THEORY (1999) (17)
Kinetics and Products of Vinyl + 1,3-Butadiene, a Potential Route to Benzene. (2015) (17)
Moving from postdictive to predictive kinetics in reaction engineering (2020) (17)
Transient vibrational spectroscopy of ã1A1 CH2 v2 = 2 (1989) (16)
Message Passing Networks for Molecules with Tetrahedral Chirality (2020) (16)
From benzene to naphthalene: direct measurement of reactions and intermediates of phenyl radicals and acetylene. (2019) (16)
Dehydration of isobutanol and the elimination of water from fuel alcohols. (2013) (16)
A theoretical and experimental kinetic study of phenyl radical addition to butadiene (2005) (16)
A Modeling Investigation into the Optimal Intake and Exhaust Valve Event Duration and Timing for a Homogenous Charge Compression Ignition Engine (2005) (16)
A priori falloff analysis for OH + NO2 (2000) (15)
An experimental, theoretical, and modeling study of the ignition behavior of cyclopentanone (2019) (15)
MODELING OXIDATION AND HYDROLYSIS REACTIONS IN SUPERCRITICAL WATER—FREE RADICAL ELEMENTARY REACTION NETWORKS AND THEIR APPLICATIONS (2006) (15)
Continuous Thermal Oxidation of Alkenes with Nitrous Oxide in a Packed Bed Reactor (2015) (15)
Numerical investigation of strained extinction at engine-relevant pressures: Pressure dependence and sensitivity to chemical and physical parameters for methane-based flames (2019) (15)
Effects of large-amplitude torsions on partition functions: beyond the conventional separability assumption (2005) (14)
Kinetic modeling to estimate fundamental yield bounds for selective propylene oxidation over bifunctional catalysts (2006) (14)
A neural network based diagnostic test system for armored vehicle shock absorbers (1996) (14)
Thermochemical properties and group values for nitrogen-containing molecules. (2008) (14)
Elementary reaction rate model for MPA oxidation in supercritical water (2004) (13)
Phenyl radical + propene: a prototypical reaction surface for aromatic-catalyzed 1,2-hydrogen-migration and subsequent resonance-stabilized radical formation. (2018) (13)
Progress in the 3-D visualization of interior ballistic damage in armor ceramics (2002) (13)
A kinetic and thermochemical database for organic sulfur and oxygen compounds. (2015) (13)
Chemistry of Alkylaromatics Reconsidered (2018) (13)
Modeling Study of High Temperature Pyrolysis of Natural Gas (2018) (12)
Detailed chemical kinetic simulations of homogeneous charge compression ignition engine transients (2008) (12)
Ab initio modeling of organophosphorus combustion chemistryElectronic supplementary information (ESI) available: Optimized geometric parameters for transition states. See http://www.rsc.org/suppdata/cp/b4/b402742f/ (2004) (12)
A combined photoionization time-of-flight mass spectrometry and laser absorption spectrometry flash photolysis apparatus for simultaneous determination of reaction rates and product branching. (2018) (12)
Detailed kinetic model for hexyl sulfide pyrolysis and its desulfurization by supercritical water. (2019) (12)
Incorporating Multiple Uncertainties into Projections of Chinese Private Car Sales and Stock (2018) (12)
Ember: An open-source, transient solver for 1D reacting flow using large kinetic models, applied to strained extinction (2018) (12)
Automatically generated model for light alkene combustion (2022) (12)
Cooperative Co0 /CoII Sites Stabilized by a Perovskite Matrix Enable Selective C-O and C-C bond Hydrogenolysis of Oxygenated Arenes. (2019) (12)
Revealing the critical role of radical-involved pathways in high temperature cyclopentanone pyrolysis (2020) (12)
Anharmonic Vibrational Properties of CH2F2: A Comparison of Theory and Experiment. (1992) (12)
Temperature‐dependent vapor–liquid equilibria and solvation free energy estimation from minimal data (2020) (11)
The vibrational spectra of 2,5-dihydrothiophene (1969) (11)
Artificial Intelligence for Computer-Aided Synthesis In Flow: Analysis and Selection of Reaction Components (2020) (11)
On-the-fly pruning for rate-based reaction mechanism generation (2017) (11)
Capturing aromaticity in automatic mechanism generation software (2019) (11)
Methanol formation from the treatment of glycerol in supercritical water and with ethylsulfide (2016) (11)
Pressure and temperature dependence of the reaction of vinyl radical with alkenes II: Measured rates and predicted product distributions for vinyl + propene (2009) (11)
An apparatus-independent extinction strain rate in counterflow flames (2019) (11)
An Integrated Assessment of Emissions, Air Quality, and Public Health Impacts of China's Transition to Electric Vehicles. (2022) (11)
Fast Predictions of Reaction Barrier Heights: Toward Coupled-Cluster Accuracy. (2022) (10)
Large Intermediates in Hydrazine Decomposition: A Theoretical Study of the N3H5 and N4H6 Potential Energy Surfaces. (2019) (10)
Natural Gas and Cellulosic Biomass: A Clean Fuel Combination? Determining the Natural Gas Blending Wall in Biofuel Production. (2015) (10)
Learning to Optimize Molecular Geometries Using Reinforcement Learning. (2021) (10)
Oxidation and pyrolysis of methyl propyl ether (2021) (10)
Analysis of Hydroxide Sorbents for CO2 Capture from Warm Syngas (2012) (10)
Thermochemistry and Group Additivity Values for Fused Two-Ring Species and Radicals. (2019) (10)
Predicting Infrared Spectra with Message Passing Neural Networks (2021) (10)
Predicting polycyclic aromatic hydrocarbon formation with an automatically generated mechanism for acetylene pyrolysis (2020) (10)
A Fragment-Based Mechanistic Kinetic Modeling Framework for Complex Systems (2018) (9)
Intramolecular 13C isotope distributions of butane from natural gases (2020) (9)
Theoretical study on the HACA chemistry of naphthalenyl radicals and acetylene: The formation of C 12 H 8 , C 14 H 8 , and C 14 H 10 species (2020) (9)
Recharging systems and business operations to improve the economics of electrified taxi fleets (2020) (9)
Erratum to “Comprehensive reaction mechanism for n-butanol pyrolysis and combustion” [Combust. Flame 158 (2011) 16–41] (2011) (9)
Collaborating for Multi-Scale Chemical Science (2006) (9)
RMG Database for Chemical Property Prediction (2022) (9)
Direct Measurement of Radical-Catalyzed C6H6 Formation from Acetylene and Validation of Theoretical Rate Coefficients for C2H3 + C2H2 and C4H5 + C2H2 Reactions (2020) (9)
Pressure and temperature dependence of the reaction of vinyl radical with alkenes III: measured rates and predicted product distributions for vinyl + butene. (2009) (9)
Accurate and efficient method for predicting thermochemistry of furans and ortho-arynes: expansion of the bond-centered group additivity method. (2006) (9)
Localized Temporal Change of the Earth's Inner Core Boundary (2006) (8)
Evaluating Scalable Uncertainty Estimation Methods for DNN-Based Molecular Property Prediction (2019) (8)
Analysis of Plant Remains from Blood Run (2004) (8)
CCIII.—Studies on the viscosity and conductivity of some aqueous solutions. Part II. Mixtures of solutions of sucrose and lithium chloride. A contribution towards the elucidation of the connexion between ionic mobility and the fluidity of the solution (8)
Uncertainty analysis of correlated parameters in automated reaction mechanism generation (2020) (8)
An Exact-Steady-state Adaptive Chemistry method for combustion simulations: Combining the efficiency of reduced models and the accuracy of the full model (2012) (8)
SPLIT-OPERATOR METHODS FOR COMPUTING STEADY-STATE REACTING FLOW-FIELDS (2001) (8)
Kinetic Modeling of API Oxidation: (1) The AIBN/H2O/CH3OH Radical "Soup". (2021) (8)
X-Ray Computed Tomography of Ultralightweight Metals (1999) (7)
Updating Our Understanding of JP-10 Decomposition Chemistry: A Detailed JP-10 Combustion Mechanism Constructed Using RMG - an Automatic Reaction Mechanism Generator (2010) (7)
Thermochemistry Prediction and Automatic Reaction Mechanism Generation for Oxygenated Sulfur Systems: A Case Study of Dimethyl Sulfide Oxidation (2020) (7)
Computer-generated isotope model achieves experimental accuracy of filiation for position-specific isotope analysis (2019) (7)
Effects of Variations in Market Gasoline Properties on HCCI Load Limits (2007) (7)
Automatic Reaction Mechanism Generation with Group Additive Kinetics (2012) (7)
Review and Assessment of Fuel Effects and Research Needs in Clean Diesel Technology (2001) (7)
Development of Automatic Chemical Reaction Mechanism Generation Software Using Object-Oriented Technology (2003) (7)
Predicting Solubility Limits of Organic Solutes for a Wide Range of Solvents and Temperatures. (2022) (6)
A crossed molecular beam study of NO+O3→NO*2 +O2: The effect of ozone rotational energy (1984) (6)
Direct Kinetics and Product Measurement of Phenyl Radical + Ethylene (2020) (6)
Screening of binary alloys for warm temperature capture of elemental mercury using density functional theory (2012) (6)
Thermochemistry and Kinetics of Intermolecular Addition of Radicals to Toluene and Alkylaromatics. (2019) (6)
Automatic generation of reaction mechanisms (2019) (6)
Ballistically‐Induced Damage in Ceramic Targets as REVEALED by X‐ray Computed Tomography (2009) (5)
Development of the RIOT web service and information technologies to enable mechanism reduction for HCCI simulations (2005) (5)
Damage Assessment in TiB2 Ceramic Armor Targets (2001) (5)
High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions (2022) (5)
Automated Generation of Chemical Mechanisms for Predicting Extinction Strain Rates with Applications in Flame Stabilization and Combustion Instabilitie (2017) (5)
EVALUATION OF BALLISTIC DAMAGE IN AN ENCAPSULATED CERAMIC PANEL VIA X‐RAY COMPUTED TOMOGRAPHY (2009) (5)
Evaluation of Ballistically‐Induced Damage in Ceramic Targets by X‐ray Computed Tomography (2009) (5)
Transition to Electric Vehicles in China: Implications for Total Cost of Ownership and Cost to Society (2020) (5)
Vibrational spectra and structure of four-membered ring molecules 2-Chlorocyclobutanone and 2-chloro-2, 4, 4-trideuterocyclobutanone (1968) (5)
System and Market Analysis of Methanol Production Using Compact Engine Reformers (2014) (5)
LOW VELOCITY IMPACT TESTING AND NONDESTRUCTIVE EVALUATION OF TRANSPARENT MATERIALS (2011) (5)
Reaction Pathways, Thermodynamics and Kinetics of Cyclopentanone Oxidation Intermediates: A Theoretical Approach. (2019) (5)
Formation of Two-Ring Aromatics in Hexylbenzene Pyrolysis (2020) (5)
Wisconsin Rock Art (1987) (5)
Detailed Kinetic Modeling for the Pyrolysis of a Jet A Surrogate (2022) (5)
Destructive Testing and Nondestructive Evaluation of Alumina Structural Ceramics (2010) (4)
Influence of Template Size, Canonicalization, and Exclusivity for Retrosynthesis and Reaction Prediction Applications (2021) (4)
Stimulated Emission Pumping as a Probe of the (X2Π) + Intermolecular Potential Energy Surface (1995) (4)
BALLISTIC DAMAGE VISUALIZATION & QUANTIFICATION IN MONOLITHIC TI-6AL-4V WITH X-RAY COMPUTED TOMOGRAPHY (2003) (4)
Kinetics of Intramolecular Phenyl Migration and Fused Ring Formation in Hexylbenzene Radicals. (2018) (4)
Correlation of scanning microwave interferometry and digital X-ray images for damage detection in ceramic composite armor (2012) (4)
A Portable Microwave Interference Scanning System for Nondestructive Testing of Multi‐Layered Dielectric Materials (2010) (4)
Combustion of Synthetic Jet Fuel: Chemical Kinetic Modeling and Uncertainty Analysis (2017) (4)
Nondestructive Evaluation of Complex Composites Using Advanced Computed Tomography (CT) Imaging (2001) (4)
Primary Reference Fuel Behavior in a HCCI Engine near the Low-Load Limit (2008) (4)
Vibrational relaxation in HF and DF between 200-300°K (1975) (4)
Examining the accuracy of methods for obtaining pressure dependent rate coefficients. (2022) (4)
Detailed Reaction Mechanism for 350–400 °C Pyrolysis of an Alkane, Aromatic, and Long-Chain Alkylaromatic Mixture (2022) (4)
Learnings from exchange-correlation potentials (1998) (4)
Multi-fidelity prediction of molecular optical peaks with deep learning (2021) (4)
Correct Symmetry Treatment for X + X Reactions Prevents Large Errors in Predicted Isotope Enrichment. (2019) (4)
Screening for New Pathways in Atmospheric Oxidation Chemistry with Automated Mechanism Generation. (2021) (4)
Automated chemical resonance generation and structure filtration for kinetic modeling (2019) (4)
Nondestructive Evaluation of as Fabricated and Damaged Encapsulated Ceramics (2010) (4)
Computational Investigation of PAH and Soot Formation in Premixed Ethylene Flames (2005) (4)
H2 Generation from H2O and H2S through an Iodine Cycle (2019) (3)
Global Mechanical Response and Its Relation to Deformation and Failure Modes at Various Length Scales Under Shock Impact in Alumina AD995 Armor Ceramic (2008) (3)
Application of Model Fuels to Engine Simulation (2007) (3)
Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software (2023) (3)
Scalability strategies for automated reaction mechanism generation (2019) (3)
Kinetic Modeling of API Oxidation: (2) Imipramine Stress Testing. (2022) (3)
Inroads in the Non-Invasive Diagnostics of Ballistic Impact Damage (2006) (3)
Theoretical Kinetics Study of the O([superscript 3]P) + CH[subscript 4]/CD[subscript 4] Hydrogen Abstraction Reaction: The Role of Anharmonicity, Recrossing Effects, and Quantum Mechanical Tunneling (2014) (3)
Comprehensive Visualization of Interface Defeat-Based Ballistic Impact Damage in a Titanium Carbide (TiC) Ceramic Target Disk (2001) (2)
Detonation Wave-Induced Breakup and Combustion of RP-2 Fuel Droplets (2022) (2)
Reply to comment on “Automatic estimation of pressure-dependent rate coefficients” (J. W. Allen, C. F. Goldsmith, and W. H. Green, Phys. Chem. Chem. Phys., 2011, 14, 1131–1155) (2012) (2)
Electrochemical Formation and Modification of Nanocrystalline Porous Silicon (2007) (2)
Pressure-dependent kinetics of peroxy radicals formed in isobutanol combustion. (2020) (2)
Competition Effects in a 12C16O2–13C16O2 Laser (1970) (2)
Rate coefficients and kinetic isotope effects of the X + CH[subscript 4] → CH[subscript 3] + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics (2013) (2)
Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH[subscript 4] → CH[subscript 3] + H[subscript 2]O (2013) (2)
EHreact: Extended Hasse Diagrams for the Extraction and Scoring of Enzymatic Reaction Templates (2021) (2)
An Autoignition Study of iso-Butanol: Experiments and Modeling (2017) (2)
Nondestructive Damage Characterization of Alumina Ceramics (2009) (2)
Reduced models for adaptive chemistry simulation of reacting flows (2003) (2)
Erratum: Kinetic anharmonic coupling in the trihalomethanes: A mechanism for rapid intramolecular redistribution of CH stretch vibrational energy [J. Chem. Phys. 86, 6000 (1987)] (1988) (2)
The tourist's new guide, containing a description of the lakes, mountains, and scenery, in Cumberland, Westmoreland, and Lancashire (1819) (2008) (2)
A Little Chemistry (2010) (2)
David Dubinsky: A Pictorial Biography (2007) (2)
Musical medicine. (1996) (2)
Ring-polymer molecular dynamics: Rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H[subscript 2]) → HX + H(X = C([superscript 1]D), S([superscript 1]D)) (2014) (2)
Similarity based enzymatic retrosynthesis (2022) (2)
New Approaches for Collaborative Sharing of Chemical Model Data and Analysis Tools (2005) (2)
Addition to "Correct Symmetry Treatment for X + X Reactions Prevents Large Errors in Predicted Isotope Enrichment". (2019) (2)
High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions (2022) (1)
Automated construction of pressure-dependent gas-phase kinetic models : new pathways for old problems (2003) (1)
Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O([superscript 3]P) + CH[subscript 4] → OH + CH[subscript 3] Reaction: Contributions of Quantum Effects (2012) (1)
Effects of surface species and homogeneous reactions on rates and selectivity in ethane oxidation on oxide catalysts (2021) (1)
Accurate reaction networks for alternative fuels: butanol isomers (2010) (1)
Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry (2020) (1)
Chemistry of Simple Organic Peroxy Radicals under Atmospheric through Combustion Conditions: Role of Temperature, Pressure, and NOx Level. (2021) (1)
NO x-Mediated Homogeneous Pathways for the Synthesis of Formaldehyde from CH 4O 2 Mixtures (1)
The Effect of Alcohol and Carbonyl Functional Groups on the Competition between Unimolecular Decomposition and Isomerization in C4 and C5 Alkoxy Radicals (2016) (1)
ON DAMAGE ASSESSMENT OF IMPACTED CERAMICS VIA 3-D X-RAY COMPUTED TOMOGRAPHY (2002) (1)
Crops of ancient Iowa: Native plant use and farming systems (1993) (1)
Quantum Rate Coefficients and Kinetic Isotope Effect for the Reaction Cl + CH[subscript 4] → HCl + CH[subscript 3] from Ring Polymer Molecular Dynamics (2014) (1)
Computer-Aided Construction of Chemical Kinetic Models (2014) (1)
A workflow for automatic generation and efficient refinement of individual pressure-dependent networks (2022) (1)
Combining retrosynthesis and mixed-integer optimization for minimizing the chemical inventory needed to realize a WHO essential medicines list (2020) (1)
Investigation of low density core processes for producing ultra lightweight metals using X-ray computed tomography (2001) (1)
Advances in Automatic Reaction Mechanism Generation for Sulfur Systems: A Case Study of Dimethyl Sulfide Oxidation (2017) (1)
Effects of Tractor Traffic and Soil Moisture Tension on Yield of Norgold Russet 'M' Potatoes (2016) (1)
Nondestructive Characterization of Impact Damage in Metallic/Nonmetallic Composites Using X-ray Computed Tomography Imaging (2001) (1)
Computed rate coefficients and product yields for c-C[subscript 5] H[subscript 5] + CH[subscript 3] [right arrow] products (2009) (1)
Chemical Structures of Premixed iso-Butanol Flames. (2013) (1)
Indications of local sources of modern dust in NSW (2005) (1)
Nondestructive Evaluation (NDE) of Sintered Silicon Carbide and its Correlation to Microstructure and Mechanical Properties (2008) (1)
10. New Models and Pathways for Methane and Ethane Pyrolysis from Automated, Pressure-Dependent Mechanism Generation (2003) (1)
Automated Reaction Discovery from Combined Application of Transition State Search Algorithms (2018) (1)
Designing, controlling, and visualizing composite material manufacturing (2002) (1)
The reaction step: general discussion. (2022) (1)
An experimental and theoretical study of the thermal decomposition of phenyldodecane in the presence of organic sulfur (2015) (1)
Portable automated imaging in complex ceramics with a microwave interference scanning system (2013) (1)
Corrigendum to Ab initio screening of metal sorbents for elemental mercury capture in syngas streams [Chem. Eng. Sci. 65 (2010) 3025―3033] (2010) (1)
Comparing Thermography and X-Ray Computed Tomography Analyses of Composite Helmets (2003) (1)
Butyl Acetate Pyrolysis and Combustion Chemistry: Mechanism Generation and Shock Tube Experiments. (2023) (1)
Nondestructive Characterization of Low Velocity Impact Damage in Transparent Laminate Systems (2011) (1)
Editorial: New Editor, Craig A. Taatjes (2013) (0)
Recent and Future Progress in Combustion Chemistry ― Building and Solving Accurate Combustion Chemistry Simulations (2008) (0)
Comparative rates of hydrogen transfer from alkanes, alkenes and alkylaromatics (1994) (0)
Kinetic Modeling of Methyl Formate Oxidation (2011) (0)
Theoretical Kinetics Study of the O([superscript 3]P) + CH[subscript 4]/CD[subscript 4] Hydrogen Abstraction Reaction: The Role of Anharmonicity, Recrossing Effects, Citation (2014) (0)
Development and Testing of an Interface for Real-Time Visualization of Resin Flow in Composites (1998) (0)
RECENT $V \rightarrow V$ ENERGY TRANSFER MEASUREMENTS FOR CO-ADDITIVE MIXTURES (1973) (0)
Very Low-Intensity Throughput X-Ray Computed Tomography of a Cast FeMnAl Steel Alloy (2020) (0)
Combustion characteristics of alternative fuels: butanol isomers (2010) (0)
From quantum mechanics to viscoelasticity: A multiscale modeling and characterization of radical initiated modification of polyolefin in molten state (2020) (0)
PHOTOFRAGMENTATION OF KETENE AT THE BINGLET THRESHOLD (1988) (0)
THE VIBRATIONAL SPECTRA AND STRUCTURE OF 2-OXAZOLINE AND 2,3-DIHYDROFURAN. (1969) (0)
Modeling of PAH and soot formation in a laminar premixed benzene/ air flame (2003) (0)
Building Kinetic Models for the Liquid Phase: Hydrocarbon Autoxidation (2009) (0)
An experimental and theoretical study of cyclopentadiene-ethene co-pyrolysis: growth of polycyclic aromatic hydrocarbons (2015) (0)
A Crossed Molecular Beam Study of NO + O3-→ NO2* + O2: The Effect of Ozone Rotational Energy. (1984) (0)
Detailed kinetic models for fuel chemistry : Chemistry of diesel fuels (1998) (0)
Low-temperature deuterium fluoride vibrational energy transfer kinetics. Final report Jul 1973--Jun 1974 (1976) (0)
Quantum Calculations of Important Isomerization Reaction Rates (2012) (0)
Automated System for Knowledge-Based Continuous Organic Synthesis: Data-Driven Pathway Design and Validation (Invited Lecture) (2018) (0)
MECHANISMS OF CONSUMPTION OF ALKENES IN SUPERCRITICAL WATER TREATMENT AND PYROLYSIS OF HEXYLBENZENE (2015) (0)
ARPA-NRL Laser Program (1974) (0)
Modeling of PAH and Soot Formation in Laminar Premixed Flames (2003) (0)
Miniaturized hand held microwave interference scanning system for NDE of dielectric armor and armor systems (2011) (0)
Creating a Sustainable Earth: An MIT Research, Teaching, and Public Service Initiative for Understanding, Restoring and Managing the Environment A Report by the Committee to Assess Environmental Activities at MIT (2007) (0)
Quantitative Evaluation of Structural Damage in Lightweight Armor Materials via XCT (2010) (0)
Comparison of Penetration Damage in Novel Mg Specimens via Computed Tomography (2011) (0)
Balanced Splitting and Rebalanced Splitting Citation (2013) (0)
Characterization of impact damage in metallic/nonmetallic composites using x-ray computed tomography imaging (2008) (0)
An Extensive X-ray Computed Tomography Evaluation of a Fully Penetrated Encapsulated SiC MMC Ballistic Panel (2009) (0)
Digital Radiography and X-ray Computed Tomography Slice Inspection of an Aluminum Truss Section (2011) (0)
The master equation: general discussion. (2022) (0)
Final Scientific/Technical Report Compact, Inexpensive Micro-Reformer for Distributed GTL Systems (2014) (0)
Affine Lumping Formalism for Comparison of Model Reduction Techniques (2009) (0)
SUMMARY OF BALLISTIC IMPACT DAMAGE IN TI-6 AL-4 V ALLOY WITH X-RAY COMPUTED TOMOGRAPHY (2004) (0)
Automatic estimation of pressure-dependent rate coefficients w (2011) (0)
Experimental and modeling study of thermal decomposition of exotetrahydrocyclopentadiene rodicyclopentadiene (2012) (0)
Nondestructive Evaluation of Damaged and As-Fabricated Encapsulated Ceramic Panels (2009) (0)
10.34 Numerical Methods Applied to Chemical Engineering, Fall 2006 (2006) (0)
Extensive Characterization of Cracking in As-fabricated Composite Ceramic Panels Via Ultrasonic and X-ray Computed Tomography Testing (2011) (0)
Low Velocity Impact Damage Characterization of Transparent Materials (2011) (0)
Ab Initio Prediction of Vibration-Rotation Spectra: HCCF, HFCO, SiH3+ and CH2 (1990) (0)
Editorial: 7th International Conference on Chemical Kinetics (2012) (0)
Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O([superscript 3]P) + CH[subscript 4] OH + CH[subscript 3] Reaction: Citation (2014) (0)
Incorporating pressure-dependent reactions in large, gas-phase chemical mechanisms : Cracking chemistry and mechanisms in pretroleum processing (2002) (0)
Supporting Information for: Deep Learning of Activation Energies (2020) (0)
Density functional theory applied to hydrogen abstraction reactions (1995) (0)
A Graphical User Interface (GUI) for Automated Classification of Bradley Fighting Vehicle Shock Absorbers (1998) (0)
NONDESTRUCTIVE EVALUATION (NDE) OF DAMAGED STRUCTURAL CERAMICS (2009) (0)
ARPA--NRL laser program. Semiannual technical report, 1 July--31 December 1973 (1974) (0)
Multiscale Modeling and Characterization of Radical-Initiated Modification of Molten Polyolefins (2022) (0)
Reaction mechanisms without borders: combustion of the butanol isomers from φ = 0.25 to φ = ∞ (2010) (0)
Application of a Miniaturized Portable Microwave Interference Scanning System for Nondestructive Testing of Composite Ceramic Armor (2011) (0)
Nondestructive Characterization of Low-Velocity Impact Damage in Protective Ceramic Components (2013) (0)
A University Consortium on Homogeneous Charge Compression Ignition Engine Research (2007) (0)
Utilizing Neural Networks to Interpret Data Acquired from Automated Test Systems (1996) (0)
Southeast Collector Trunk Sewer Route Selection: The Regional Municipalities of York and Durham, Ontario, Canada (2012) (0)
A wide range experimental and kinetic modeling study of the oxidation of 2,3-dimethyl-2-butene: Part 1 (2023) (0)
Enabling HCCI modeling: The RIOT/CMCS Web Service for Automatic Reaction Mechanism Reduction (2005) (0)
21st Century Kinetics: Quantitative Predictions from First Principles (2009) (0)
Accurately Predicting Complex Reaction Kinetics from First Principles (2016) (0)
Opertor Training and Performance Measurement for Nondestructive Testing of Ceramic Armor (2015) (0)
ARL-RP-202 March 2008 Global Mechanical Response and Its Relation to Deformation and Failure Modes at Various Length Scales Under Shock Impact in Alumina AD 995 Armor Ceramic (2008) (0)
Predictive Automated Combustion Chemistry: Massively Parallel High-Accuracy Thermochemistry (2018) (0)
ICCK Conference Final Report (2013) (0)
Modelling of 1-butanol pyrolysis and combustion (2008) (0)
Predictive chemical kinetics: a molecular approach to 21st century energy solutions (2013) (0)
A new experimental and theoretical approach for predicting secondary oil to gas cracking kinetics in petroleum system modelling (2017) (0)
A kinetic modeling study of high temperature chemistry of n-pentanol (2013) (0)
Building Models of Liquid Phase Kinetics and Separation: Hydrocarbon Autoxidation (2010) (0)
The Effect of Alcohol and Carbonyl Functional Groups on the Competition between Unimolecular Decomposition and Isomerization in C[subscript 4] and C[subscript 5] Alkoxy Radicals (2016) (0)
Nondestructive characterization of transparent laminate systems subject to low velocity impacts (2012) (0)
Direct Measurement of Radical-Catalyzed C₆H₆ Formation from Acetylene and Validation of Theoretical Rate Coefficients for C₂H₃+C₂H₂ and C₄H₅+C₂H₂ Reactions (2020) (0)
Transforming chemistry from postdictive to predictive: extensible automated reaction mechanism generation for butanol pyrolysis (2009) (0)
Detailed experimental and kinetic modeling study of cyclopentadiene pyrolysis and the effect of ethene as co-reactant (2017) (0)
Unravelling the role of cyclopentadiene and hexadiene in the formation of aromatics (2016) (0)
TRA1SITION STATES AND RATE CONSTANTS FOR UNIl\,f 0 LECULAR REACTIONS (1992) (0)
In Depth Study of Cone Cracks in Multi‐Layered Transparent Panel Structures by X‐Ray Computed Tomography (2012) (0)
Combustion of the butanol isomers: reaction pathways at elevated pressures from low-to-high temperatures (2011) (0)
Quantitative Three-Dimensional Analysis of Structural Damage in Penetrated Magnesium via XCT (2010) (0)
ULTRASOUND AND X‐RAY CHARACTERIZATION OF DAMAGE IN ALUMINA STRUCTURAL CERAMICS (2010) (0)
Numerical Methods Applied to Chemical Engineering (PDF) (2004) (0)
Accurate chemistry for combustion and pyrolysis of alternative fuels: bio-butanol (2010) (0)
C14H10 polycyclic aromatic hydrocarbon formation by acetylene addition to naphthalenyl radicals observed. (2021) (0)
Machine learning for efficient and continuous retrosynthetic product design : a novel reaction identifier (2018) (0)
Nondestructive Testing and Evaluation of Materials at the US Army Research Laboratory (2018) (0)
THE INTERPRETATION OF OVERTONE SPECTRA: MODE-MODE COUPLINGS IN THE TRIHALOMETHANES (1985) (0)
INFRARED AND RAMAN SPECTRA OF CYCLOBUTANOL AND BROMOCYCLOBUTANE (1966) (0)
THE VIBRATIONAL SPECTRUM OF SELENACYCLOPENTANE. (1969) (0)
National Combustion Meeting Organized by the Western States Section of the Combustion Institute and hosted by the University of Utah May 19-22 , 2013 An Autoignition Study of iso-Butanol : Experiments and Modeling (2013) (0)
Building and Solving Accurate Combustion Chemistry Simulations (2008) (0)
XCT Study of Cone Crack Damage in Multilayered Transparent Panel Structures and Comparison to Modeling (2012) (0)
Impact Damage Characterization of Transparent Materials (2010) (0)
Machine learning and continuous flow : detection and correction of flow-incompatible reaction conditions (2018) (0)
Combustion characteristics of alternative fuels: Butanol (2012) (0)
Dynamic Spatial and Temporal Allocation of Reduced Chemical Kinetics Models in Combustion Computational Fluid Dynamics Simulations (2010) (0)
Feasibility Study for ARL Inspection of Ceramic Plates Final Report - Revision: B (2008) (0)
NONDESTRUCTIVE CHARACTERIZATION OF AS‐FABRICATED COMPOSITE CERAMIC PANELS (2011) (0)
Investigating Ballistic Impact Damage in Lightweight Ceramic Armor Materials Using Advanced Computed Tomography (2003) (0)
Predictive kinetic modeling of formation of aromatics during pyrolysis of alcohol fuels (2014) (0)
VOLUMETRIC ANALYSIS OF MICRO-CRATERS IN APOLLO 16 SAMPLES VIA X-RAY COMPUTED TOMOGRAPHY AND LASER CONFOCAL MICROSCOPY (2019) (0)
Automated Discovery of New Chemical Reactions and Accurate Calculation of Their Rates (2015) (0)
Collisional energy transfer: general discussion. (2022) (0)
実条件下でのNi及びNi合金(111)表面におけるメタン水蒸気改質反応機構の計算解析 (2009) (0)
Methyl propyl ether combustion (2020) (0)
The Grady Hospital Study (2018) (0)
Tables and Absorbance Graphs (2010) (0)
William Green: A Pictorial Biography (2011) (0)
Chapter A little chemistry (2010) (0)
Frontmatter - Foreward, Preface, Table of Contents (2005) (0)
Frontiers in Neurochemistry. (2018) (0)
Front matter - Forward and Preface (1999) (0)
Children and Pornography: An Interest Analysis in System Perspective (2011) (0)
メタン水蒸気改質によるNi(111)表面での水素生成反応機構 (2009) (0)
The second time around. (2006) (0)
Concluding remarks: Faraday Discussion on unimolecular reactions. (2022) (0)
Recent advances (and continuing challenges) in combustion chemistry (2015) (0)
Electrochemistry and photochemistry of luminescent porous Si (1995) (0)
Volumetric 3D Analysis of Martian Polymict Breccia "Black Beauty" (NWA 7034) and NWA 10567 (2019) (0)
Science, Politics, and the Pharmaceutical Industry: Controversy and Bias in Drug Regulation, John Abraham, New York: St. Martin's Press, 1995, 308 pp. US$49.95 cloth. ISBN: 0-312-12873-8. St. Martin's Press, 175 Fifth Ave., Room 1715, New York, NY 10010, USA. (1997) (0)
Co-Optima Final Report: Rapid Construction of Validated Chemistry Models for Advanced Biofuels (2021) (0)
Cancer From Beef: DES, Federal Food Regulation, and Consumer Confidence . Alan I Marcus Baltimore, MD: Johns Hopkins University Press, 1994, 235 pp. US$38.50. ISBN: 0-8018-4700-1. Johns Hopkins University Press, 2715 N. Charles St., Baltimore, MD 21218-4319, USA. (1995) (0)
Concentrate Post-Treatment For Hydrogen Sulfide And Dissolved Oxygen (2000) (0)
Biological Assessment of Streams Associated with the Northern Training Complex at Fort knox, Kentucky, August 2000 (2001) (0)
Optimal Locally-Constrained Basis-Dependent Projection-Based Model Reduction (2011) (0)

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