Bruce C. Garrett

Q: What Schools Are Affiliated With Bruce C. Garrett

Bruce C. Garrett is affiliated with the following schools: University of California, Irvine, University of Minnesota, Purdue University

Bruce C. Garrett's AcademicInfluence.com Rankings

Bruce C. Garrett

Chemistry

#2780

World Rank

#3742

Historical Rank

Physical Chemistry

#340

World Rank

#389

Historical Rank

chemistry Degrees

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Chemistry

Bruce C. Garrett's Degrees

PhD Chemistry University of California, Berkeley
Bachelors Chemistry University of California, Berkeley

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Bruce C. Garrett'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

Current status of transition-state theory (1983) (1636)
Variational Transition State Theory (1980) (1078)
Molecular modeling of the kinetic isotope effect for the [1,5]-sigmatropic rearrangement of cis-1,3-pentadiene (1993) (686)
Improved treatment of threshold contributions in variational transition-state theory (1980) (548)
POLYRATE 4: A new version of a computer program for the calculation of chemical reaction rates for polyatomics (1992) (416)
Criterion of minimum state density in the transition state theory of bimolecular reactions (1979) (393)
Role of water in electron-initiated processes and radical chemistry: issues and scientific advances. (2005) (390)
Generalized transition state theory. Classical mechanical theory and applications to collinear reactions of hydrogen molecules (1979) (361)
An overview of current issues in the uptake of atmospheric trace gases by aerosols and clouds (2010) (331)
Generalized transition state theory. Bond energy-bond order method for canonical variational calculations with application to hydrogen atom transfer reactions (1979) (328)
A general small-curvature approximation for transition-state-theory transmission coefficients (1981) (261)
Direct dynamics calculation of the kinetic isotope effect for an organic hydrogen-transfer reaction, including corner-cutting tunneling in 21 dimensions (1993) (242)
Variational Transition State Theory with Multidimensional Tunneling (2007) (225)
Molecular Dynamics Simulations of the Liquid/Vapor Interface of SPC/E Water (1996) (224)
Ions at the Air/Water Interface (2004) (204)
SEMICLASSICAL TUNNELING CALCULATIONS (1979) (202)
Variational transition state theory and tunneling for a heavy–light–heavy reaction using an ab initio potential energy surface. 37Cl+H(D) 35Cl→H(D) 37Cl+35Cl (1983) (181)
Vibrationally adiabatic models for reactive tunneling (1982) (179)
Transition State Theory (1986) (178)
Incorporation of quantum effects in generalized-transition-state theory (1982) (161)
Generalized transition state theory. Quantum effects for collinear reactions of hydrogen molecules and isotopically substituted hydrogen molecules (1979) (160)
A least‐action variational method for calculating multidimensional tunneling probabilities for chemical reactions (1983) (156)
Semiclassical eigenvalues for nonseparable systems: Nonperturbative solution of the Hamilton–Jacobi equation in action‐angle variables (1976) (155)
Algorithms and accuracy requirements for computing reaction paths by the method of steepest descent (1988) (153)
Photoelectron spectra of the hydrated iodine anion from molecular dynamics simulations (1993) (152)
The definition of reaction coordinates for reaction‐path dynamics (1991) (142)
Generalized transition state theory calculations for the reactions D+H2 and H+D2 using an accurate potential energy surface: Explanation of the kinetic isotope effect (1980) (129)
Semiclassical transition state theory for nonseparable systems: Application to the collinear H+H2 reaction (1975) (113)
Molecular simulations of the transport of molecules across the liquid/vapor interface of water. (2006) (112)
A hierarchical family of global analytic Born-Oppenheimer potential energy surfaces for the H+H2 reaction ranging in quality from double-zeta to the complete basis set limit (2002) (112)
Generalized transition state theory in terms of the potential of mean force (2003) (111)
H+H2 thermal reaction: a convergence of theory and experiment. (2003) (109)
Dynamical Nucleation Theory: A New Molecular Approach to Vapor-Liquid Nucleation (1999) (108)
Molecular dynamics simulations of atmospheric oxidants at the air-water interface: solvation and accommodation of OH and O3. (2005) (105)
Hydroxyl radical at the air-water interface. (2004) (101)
WKB approximation for the reaction‐path Hamiltonian: Application to variational transition state theory, vibrationally adiabatic excited‐state barrier heights, and resonance calculations (1984) (97)
An improved potential energy surface for F+H2→HF+H and H+H′F→HF+H′ (1985) (93)
Variational transition state theory calculations of the reaction rates of F with H2, D2, and HD and the intermolecular and intramolecular kinetic isotope effects (1985) (90)
Accuracy of tunneling corrections to transition state theory for thermal rate constants of atom transfer reactions (1979) (86)
Use of scaled external correlation, a double many-body expansion, and variational transition state theory to calibrate a potential energy surface for FH2 (1991) (83)
Kinetic Isotope Effects for the Reactions of Muonic Helium and Muonium with H2 (2011) (82)
Global control of suprathreshold reactivity by quantized transition states (1991) (78)
Application of the large-curvature tunneling approximation to polyatomic molecules: Abstraction of H or D by methyl radical (1989) (75)
Importance of quartic anharmonicity for bending partition functions in transition-state theory (1979) (71)
Embedded diatomics-in-molecules: a method to include delocalized electronic interactions in the treatment of covalent chemical reactions at metal surfaces (1989) (71)
Test of variational transition state theory and the least-action approximation for multidimensional tunneling probabilities against accurate quantal rate constants for a collinear reaction involving tunneling into an excited state (1985) (71)
Test of variational transition state theory with a large‐curvature tunneling approximation against accurate quantal reaction probabilities and rate coefficients for three collinear reactions with large reaction‐path curvature: Cl+HCl, Cl+DCl, and Cl+MuCl (1983) (70)
Optimized calculations of reaction paths and reaction‐path functions for chemical reactions (1992) (69)
Kinetic isotope effects in the Mu+H2 and Mu+D2 reactions: Accurate quantum calculations for the collinear reactions and variational transition state theory predictions for one and three dimensions (1982) (67)
Global potential-energy surfaces for H2Cl (1989) (67)
MORATE: a program for direct dynamics calculations of chemical reaction rates by semiempirical molecular orbital theory (1993) (66)
The quenching of Na(3 2P) by H2: Interactions and dynamics (1982) (66)
Phenomenological manifestations of large-curvature tunneling in hydride-transfer reactions (1986) (63)
Hybrid approach for free energy calculations with high-level methods: application to the SN2 reaction of CHCl3 and OH- in water. (2007) (62)
Generalized transition state theory. Canonical variational calculations using the bond energy-bond order method for bimolecular reactions of combustion products (1979) (62)
The OH radical-H2O molecular interaction potential. (2006) (61)
Thermodynamics and Kinetics of Nanoclusters Controlling Gas-to-Particle Nucleation (2009) (56)
POLYRATE: A general computer program for variational transition state theory and semiclassical tunneling calculations of chemical reaction rates (1987) (56)
On NO3--H2O interactions in aqueous solutions and at interfaces. (2006) (55)
Reliable ab initio calculation of a chemical reaction rate and a kinetic isotope effect: H + H(2) and H + H(2). (1979) (54)
Understanding the sensitivity of nucleation kinetics: A case study on water (2002) (53)
Multidimensional transition state theory and the validity of Grote-Hynes theory (2000) (51)
Ab Initio Predictions and Experimental Confirmation of Large Tunneling Contributions to Rate Constants and Kinetic Isotope Effects for Hydrogen Atom Transfer Reactions (1986) (51)
Improved canonical variational theory for chemical reaction rates. Classical mechanical theory and applications to collinear reactions (1980) (49)
Tunneling in the Presence of a Bath: A Generalized Transition State Theory Approach (1994) (49)
Dynamical benchmarks of the nucleation kinetics of water (2002) (49)
Inclusion of nonequilibrium continuum solvation effects in variational transition state theory (1993) (46)
Test of Variational Transition State Theory and Multidimensional Semiclassical Transmission Coefficient Methods against Accurate Quantal Rate Constants for H + H2/HD, D + H2, and O + H2/D2/HD, Including Intra- and Intermolecular Kinetic Isotope Effects (1986) (46)
Theoretical calculations of the thermal rate constants for the gas-phase chemical reactions H + NH (1990) (46)
Variational transition state theory evaluation of the rate constant for proton transfer in a polar solvent (2001) (45)
Dynamical nucleation theory: Calculation of condensation rate constants for small water clusters (1999) (44)
Additions and Corrections - Incorporation of Quantum Effects in Generalized-Transition-State Theory (1983) (44)
Quantifying the non-RRKM effect in the H + O2 ⇄ OH + O reaction (1997) (43)
Variational transition state theory. Primary kinetic isotope effects for atom transfer reactions (1980) (43)
The role of collective solvent coordinates and nonequilibrium solvation in charge-transfer reactions (2001) (43)
Variational transition state theory of vapor phase nucleation (1999) (43)
ACCOMMODATION OF ALCOHOLS BY THE LIQUID/VAPOR INTERFACE OF WATER : MOLECULAR DYNAMICS STUDY (1999) (42)
Ion-induced nucleation: the importance of chemistry. (2005) (42)
Canonical unified statistical model. Classical mechanical theory and applications to collinear reactions (1982) (42)
Improved potential energy surfaces for the reaction O(3P)+H2→OH+H (1988) (42)
POTLIB 2001: A potential energy surface library for chemical systems☆ (2002) (41)
The Coupling of Electronically Adiabatic States in Atomic and Molecular Collisions (1981) (40)
Two new potential energy surfaces for the F+H2 reaction (1984) (39)
Comparison of variational transition state theory and quantum sudden calculations of three‐dimensional rate coefficients for the reactions D(H)+BrH → DBr(HBr)+H (1983) (39)
Barrier for the H2CO --> H2+ CO reaction: A discrepancy between high-level electronic structure calculations and experiment (2000) (38)
Reaction-path interpolation models for variational transition state theory (1983) (38)
Critical comparison of approximate and accurate quantum-mechanical calculations of rate constants for a model activated reaction in solution (1992) (37)
New semiempirical method of modeling potential energy surfaces for generalized TST and application to the kinetic isotope effects in the Cl–H–H system (1982) (37)
Reaction probabilities, resonances, and thermal rate constants for the collinear reactions H + FH and D + FD on a low-barrier surface. Close-coupling and tunneling calculations, variational transition-state theory, and the unified statistical model (1981) (37)
Variational transition state theory with least‐action tunneling calculations for the kinetic isotope effects in the Cl+H2 reaction: Tests of extended‐LEPS, information‐theoretic, and diatomics‐in‐molecules potential energy surfaces (1985) (37)
A variational centroid density procedure for the calculation of transmission coefficients for asymmetric barriers at low temperature (1995) (36)
The Critical Role of Anharmonicity in Aqueous Ionic Clusters Relevant to Nucleation (2007) (36)
Improved parametrization of diatomics‐in‐molecules potential energy surface for Na(3p 2P)+H2 → Na(3s 2S)+H2 (1983) (36)
Centroid‐density quantum rate theory: Variational optimization of the dividing surface (1993) (36)
Quantum statistical mechanical simulation of the ion–water cluster I−(H2O)n: The importance of nuclear quantum effects and anharmonicity (1996) (35)
Thermal and state‐selected rate constant calculations for O(3p) + H2 → OH + H and isotopic analogs (1986) (35)
Semiclassical variational transition state calculations for the reactions of H and D with thermal and vibrationally excited H2 (1986) (34)
Generalized transition state theory and least-action tunneling calculations for the reaction rates of atomic hydrogen(deuterium) + molecular hydrogen(n = 1) .fwdarw. molecular hydrogen(hydrogen deuteride) + atomic hydrogen (1985) (34)
Equilibrium Constant for Water Dimerization: Analysis of the Partition Function for a Weakly Bound System (2002) (34)
Variational transition state theory, vibrationally adiabatic transmission coefficients, and the unified statistical model tested against accurate quantal rate constants for collinear F+H2, H+F2, and isotopic analogs (1980) (33)
Critical tests of variational transition state theory and semiclassical tunneling methods for hydrogen and deuterium atom transfer reactions and use of the semiclassical calculations to interpret the overbarrier and tunneling dynamics (1991) (31)
Ab initio treatment of electronically inelastic K+H collisions using a direct integration method for the solution of the coupled‐channel scattering equations in electronically adiabatic representations (1981) (29)
Nuclear‐motion corrections to Born–Oppenheimer barrier heights for chemical reactions (1985) (29)
Understanding the Mechanism for the Mass Accommodation of Ethanol by a Water Droplet (1997) (29)
Comparison of variational transition state theory and the unified statistical model with vibrationally adiabatic transmission coefficients to accurate collinear rate constants for T+HD→TH+D (1980) (29)
Additions and Corrections - Generalized Transition State Theory. Quantum Effects for Collinear Reactions of Hydrogen Molecules (1983) (29)
Kinetic isotope effects for hydrogen diffusion in bulk nickel and on nickel surfaces (1990) (28)
Infrared and Molecular Dynamics Study of D2O Rotational Relaxation in Supercritical CO2 and Xe (1996) (28)
Quasiclassical trajectory (and variational transition state theory) study of the rates and temperature‐dependent activation energies of the reactions Mu+H2 (completely thermal) and H, D, and Mu+H2 (v=0, j=2) (1983) (28)
Functional representation for the born-oppenheimer diagonal correction and born-huang adiabatic potential energy surfaces for isotopomers of H3. (2009) (28)
Effects of Pressure and Temperature on the Dynamics of Liquid tert-Butyl Alcohol (1997) (28)
Dynamics of gas-phase reactions of muonium (1986) (27)
Evaluation of dynamical approximations for calculating the effect of vibrational excitation on reaction rates. O+H2(n=0,1)↔OH(n=0,1)+H (1986) (27)
Dynamical bottlenecks and semiclassical tunneling paths for chemical reactions (1987) (27)
Self-consistent polarization neglect of diatomic differential overlap: application to water clusters. (2008) (26)
Effect of bending potential on calculated product‐state distributions for the reaction H+D2 → HD+D (1985) (26)
Multicomponent dynamical nucleation theory and sensitivity analysis. (2004) (26)
Semiclassical vibrationally adiabatic model for resonances in reactive collisions (1982) (26)
Semiclassical self-consistent-field method for reactive resonances (1982) (26)
A high‐barrier potential energy surface for F+H2→HF+H (1985) (26)
Test of the accuracy of small‐curvature and minimum‐energy reference paths for parametrizing the search for least‐action tunneling paths: (H,D)+H’Br→(H,D)Br+H’ (1989) (26)
Characterization of exit‐channel barriers for chemical reactions producing specific vibrational states (1984) (25)
Perspective on “The transition state method” (2000) (25)
Test of variational transition state theory against accurate quantal results for a reaction with very large reaction‐path curvature and a low barrier (1984) (25)
Dynamic solvent effects on activated chemical reactions. I. Classical effects of reaction path curvature (1992) (25)
State-selected reaction of muonium with vibrationally excited H 2 (2012) (24)
Mode specificity in the model unimolecular reaction H-C-C .fwdarw. H + C:C (1986) (24)
Reaction-path hamiltonian model of partial widths for vibrationally elastic and inelastic decay of adiabatically trapped reactive resonances (1984) (24)
Centroid‐density quantum rate theory: Dynamical treatment of classical recrossing (1993) (24)
The quantum vibrational dynamics of Cl−(H2O)n clusters (2000) (23)
Role of Water in Electron-Initiated Processes and Radical Chemistry: Issues and Scientific Advances (2005) (23)
Application of variational transition-state theory and the unified statistical model to H + Cl/sub 2/. -->. HCl + Cl (1980) (22)
A Systematic Study of the Reactions of OH- with Chlorinated Methanes. 1. Benchmark Studies of the Gas-Phase Reactions (2001) (22)
Resonance state approach to quantum mechanical variational transition state theory (1992) (22)
Evaluation of microcanonical rate constants for bimolecular reactions by path integral techniques (1985) (22)
Theoretical studies of vibrational excitation in collisions of O(3P) with H2O(1A1) (1986) (21)
Variational transition state theory and vibrationally adiabatic transmission coefficients for kinetic isotope effects in the Cl-H-H reaction system (1981) (21)
Sensitivity analysis of thermodynamic properties of liquid water: a general approach to improve empirical potentials. (2006) (21)
Quantum activated rate theory: Variational optimization of planar dividing surfaces (1993) (20)
The utility of many-body decompositions for the accurate basis set extrapolation of ab initio data (1999) (20)
Molecular mechanism of water and ammonia uptake by the liquid/vapor interface of water (2004) (20)
Correction. Accuracy of Tunneling Corrections to Transition State Theory for Thermal Rate Constants of Atom Transfer Reactions (1979) (20)
Thermochemical kinetic analysis of tunneling and the incorporation of tunneling contributions in thermochemical kinetics (1989) (19)
A semiclassical treatment of rotationally electronically inelastic scattering of NO from Ag(111) (1989) (19)
Approximate path integral methods for partition functions (1993) (19)
Classical and quantum mechanical studies of ice Ih near the melting temperature (1996) (19)
Zero-point energy, tunnelling, and vibrational adiabaticity in the Mu + H2 reaction (2015) (18)
Determination of the Bottleneck Regions of Potential Energy Surfaces for Atom Transfer Reactions by Variational Transition State Theory (1981) (18)
Reduced Mass in the One-Dimensional Treatment of Tunneling (2003) (18)
Dynamical calculation of the temperature dependence of the activation energy for a chemical reaction from 444 to 2400 K (1981) (18)
Variational transition state theory for activated chemical reactions in solution (1994) (17)
2?* Calculations of Accurate Quantal-dynamical Reactive Scattering Transition Probabilities and their Use to test Semiclassical Applications (1987) (17)
Semiclassical and Quantum Mechanical Calculations of Isotopic Kinetic Branching Ratios for the Reactionof O(3P) with HD (1989) (17)
Path Integral Calculations of the Free Energies of Hydration of Hydrogen Isotopes (H, D, and Mu) (1994) (16)
Interaction of ClO radical with liquid water. (2009) (16)
Reaction rates for O + HD OH + D and O + HD OD + H (1987) (16)
Quantum Simulation of Aqueous Ionic Clusters (1995) (15)
ABCRATE: A program for the calculation of atom-diatom reaction rates (1998) (15)
Interactions of Cl- and OH radical in aqueous solution. (2009) (14)
Calculation of partial widths and isotope effects for reactive resonances by a reaction-path Hamiltonian model: Test against accurate quantal results for a twin-saddle point system (1984) (14)
Quantum mechanical microcanonical rate constants from direct calculations of the Green’s function for reactive scattering (1986) (14)
Constant pressure–constant temperature simulations of liquid water and carbon dioxide (1993) (14)
Thermal and State-Selected Rate Coefficients for the O(3P) + HCl Reaction and New Calculations of the Barrier Height and Width† (2001) (14)
Molecular theory of mass transfer kinetics and dynamics at gas–water interface (2008) (14)
Detailed balance in quasiclassical trajectory calculations of thermal rate constants for chemical reactions (1979) (13)
CH2Cl2 + OH- reaction in aqueous solution: a combined quantum mechanical and molecular mechanics study. (2011) (13)
Temperature dependence of the activation energy: D+H2 (1982) (13)
Bimolecular Reactive Collisions: Adiabatic and Nonadiabatic Methods for Energies, Lifetimes, and Branching Probabilities (1984) (12)
Derivative Coupling Elements in Electronically Adiabatic Representations and Their Use in Scattering Calculations (1983) (12)
Classical generalized transition-state theory. Application to a collinear reaction with two saddle points (1981) (12)
Many-body decomposition of the binding energies for OH.(H2O)2 and OH.(H2O)3 complexes. (2008) (12)
Tests of the extension of variational transition state theory to calculate reaction rates for molecules in selected excited vibrational states (1986) (12)
Electronic excitation and quenching of atoms at insulator surfaces (1988) (12)
Accurate calculations of the rate constants and kinetic isotope effects for tritium-substituted analogs of the atomic hydrogen + molecular hydrogen reaction (1983) (11)
Variational Transition State Theory in the Treatment of Hydrogen Transfer Reactions (2007) (11)
Dynamics calculations of kinetic isotope effects for the reactions of muonium atoms with F2 and Cl2 (1986) (10)
Activation energies and potentials of mean force for water cluster evaporation. (2008) (10)
Comment on "Quantum nature of the sign preference in ion-induced nucleation". (2007) (10)
Variational solutions for the thermal and real time propagator using the McLachlan variational principle (1994) (9)
Ab initio and analytical intermolecular potential for ClO-H2O. (2007) (9)
The muonic He atom and a preliminary study of the Heμ4+H2 reaction (2009) (9)
Anharmonic corrections to variational transition state theory calculations of rate constants for a model activated reaction in solution (1993) (9)
Basis-set effects in quantum-mechanical calculations of translational-to-vibrational energy transfer in O(3P) + CO2 collisions (1984) (9)
Erratum: Generalized transition state theory. Quantum effects for collinear reactions of hydrogen molecules and isotopically substituted hydrogen molecules (The Journal of Physical Chemistry (1979) 83 (1079-1112)) (1980) (8)
MORATE 6.5: A new version of a computer program for direct dynamics calculations of chemical reaction rate constants (1995) (8)
Potentials of mean force with ab initio mixed Hamiltonian models of solvation (2003) (7)
Collisional Excitation of H2O by O-Atom Impact: Classical Dynamics on an Accurate Ab Initio Potential Energy Surface (1981) (7)
DFT calculations for the structure and properties of polychlorodibenzo-para-dioxine anion-radicals (2005) (6)
Chapter 5 – Variational transition state theory (2005) (6)
Erratum: Generalized transition state theory. Classical mechanical theory and applications to collinear reactions of hydrogen molecules (Journal of Physical Chemistry (1979) 83, (1052-3058)) (1979) (5)
Thermal Reaction : A Convergence of Theory and Experiment (2003) (5)
Dynamical nucleation theory (2001) (5)
Dynamics Calculations Based on Ab Initio Potential Energy Surfaces (1985) (5)
Dynamic solvent effects on activated chemical reactions PartII.—Quantum mechanicaleffects (1997) (5)
The Impact of Molecular Interactions on Atmospheric Aerosol Radiative Forcing (2008) (4)
Effects of surface structure and of embedded-atom pair functionals on adatom diffusion on fcc metallic surfaces (1992) (4)
Quenching of the resonance state of potassium by muonium (1981) (4)
Understanding the Role of Water on Electron-Initiated Processes and Radical Chemistry (2003) (4)
Erratum and Addendum: Nuclear‐motion corrections to Born–Oppenheimer barrier heights for chemical reactions [J. Chem. Phys. 82, 4543 (1985)] (1986) (3)
Variational Transition State Theory Calculations of Concerted Hydrogen Atom Tunneling in Water Clusters and Formaldehyde/Water Clusters (1991) (3)
A correction to the POTLIB Library described in “POTLIB 2001: A potential energy surface library for chemical systems”: [Comput. Phys. Comm. 144 (2002) 169–187]☆ (2004) (3)
Collisional Excitation Cross Sections. (1984) (3)
Chemistry. Ions at the air/water interface. (2004) (3)
Implementation of variable time step stochastic dynamics for electronically inelastic gas–surface collisions (1987) (2)
Ab initio study of the Wolff rearrangement of C6H4O intermediate in the gas phase (1999) (2)
Variational transition state theory and tunneling calculations of potential energy surface effects on the reaction of O(3P) with H2 (1985) (2)
Erratum: Kinetic isotope effects for hydrogen diffusion in bulk nickel and on nickel surfaces [J. Chem. Phys. 92, 775 (1990)] (1994) (2)
Mass Transfer Between Phases: From Molecular Simulations of Interfaces to Macroscopic Models of Transport (1998) (2)
Calculation of Kinetic Data for Processes Leading to UV Signatures (1989) (1)
Chemical Fate of Contaminants in the Environment: Chlorinated Hydrocarbons in the Groundwater (2002) (1)
Additions and Corrections - Improved Treatment of Threshold Contributions in Variational Transition-State Theory (1983) (1)
Erratum: Test of the accuracy of small-curvature and minimum-energy reference paths for parametrizing the search for least-action tunneling paths: (H,D)+H′Br→(H,D)Br+H′ (The Journal of Chemical Physics (1989) 90 (3102)) (1989) (1)
Structure and isomerization of arenonium ions of dichlorobenzenes in the gas phase. A theoretical study (1998) (1)
Semiclassical Methods for Nonseparable Systems (1977) (1)
Kinetics of cluster evaporation and condensation important in homogeneous vapor phase nucleation (2001) (1)
Perspective on ` ` The transition state method ' ' Wigner E ( 1938 ) Trans Faraday Soc 34 : 29 ± 41 (1)
On the Relationship between the Enthalpy of Formation of Carbenes upon Cleavage of the Double Bond in Fluoroolefins and the Electron Density on the π Bond: An Ab Initio Study (2003) (1)
Thermochemistry and Kinetics of Evaporation and Condensation for Small Water Clusters (2003) (1)
Quenching of Na(3 /sup 2/P) by H/sub 2/: Interactions and dynamics (1982) (1)
Theoretical Investigations of Nitrocubane Decomposition. (1988) (0)
Thermal and state-selected rate constant calculations for O(/sup 3/P) + H/sub 2/. -->. OH + H and isotopic analogs (1986) (0)
Erratum: Incorporation of quantum effects in generalized-transition-state theory (Journal of Physical Chemistry (1982) 86, (2252-2261)) (1983) (0)
The Calculation of Thermal Rate Constants for Gas-Phase and Heterogeneous Reactions in Combustion Processes. (1987) (0)
Physical chemistry and the environment (1994) (0)
Improved parametrization of diatomics-in-molecules potential energy surface for Na(3p /sup 2/P)+H/sub 2/. -->. Na(3s /sup 2/S)+H/sub 2/. [p] (1983) (0)
Autobiography of Bruce C. Garrett. (2016) (0)
Venkataramani Temperature Magnetic Bistability of Molecules in Homogeneous Solution at Room (2013) (0)
A Computational Approach to Understanding Aerosol Formation and Oxidant Chemistry in the Troposphere (2006) (0)
A Computational Approach to Understanding Oxidant Chemistry and Aerosol Formation in the Troposphere (2002) (0)
Improved potential energy surface for F+H/sub 2/. -->. HF+H and H+H'F. -->. HF+H' (1985) (0)
Semiclassical Methods for Nonseparable Systems - eScholarship (2010) (0)
Variational transition state theory calculations of tunneling effects on concerted hydrogen motion in water clusters and formaldehyde/water clusters (1990) (0)
Nonequilibrium Solvation for an Aqueous‐Phase Reaction. Kinetic Isotope Effects for the Addition of Hydrogen to Benzene. (1995) (0)
Harnessing the Department of Energy’s High-Performance Computing Expertise to Strengthen the U.S. Chemical Enterprise (2012) (0)
Prediction of Thermal Rate Constants for Combustion Reaction. (1984) (0)
EMSL and Institute for Integrated Catalysis (IIC) Catalysis Workshop (2011) (0)
Erratum: Improved treatment of threshold contributions in variational transition-state theory (Journal of Physical Chemistry (1980) 84, (1730-1748)) (1983) (0)
Dynamic solvent e † ects on activated chemical reactions Part II . ¤ ÈQuantum mechanical e † ects (1997) (0)
Test of variational transition-state theory and multidimensional semiclassical transmission coefficient methods against accurate quantal rate constants for H + H/sub 2//HD, D + H/sub 2/, and O + H/sub 2//D/sub 2//HD, including intra- and intermolecular kinetic isotope effects (1986) (0)
Cleaving CC Bonds in Cyclopropenium Ions (1980) (0)
Test of Variational Transition State Theory and Multidimensional Semiclassical Transmission Coefficient Methods Against Accurate Quantal Rate Constants for H + H2/ HD, D + H2, and O + H2/ D2/ HD, Including Intra- and Intermolecular Ki (1986) (0)
Theory, Modeling and Simulation Annual Report 2000 (2001) (0)
THE EFFECT OF AN AVOIDED CROSSING ON THE $O_{2}$ SCHUMANN-RUNGE PHOTODISSOCIATION CONTINUUM (1985) (0)
2008 Summer Research Institute Interfacial and Condensed Phase Chemical Physics Annual Report (2008) (0)
Erratum: Semiclassical vibrationally adiabatic model for resonances in reactive collisions (Journal of Physical Chemistry (1982) 86, (1139-1140)) (1983) (0)
Resonances in the Collisional Excitation of Carbon Monoxide by Fast Hydrogen Atoms (1984) (0)
Theory, modeling and simulation: Annual report 1993 (1994) (0)
Additions and Corrections - Semiclassical Vibrationally Adiabatic Model for Resonances in Reactive Collisions (1983) (0)
Pacific Northwest National Laboratory Catalysis Highlights for FY2007 (2007) (0)
Vibrationally Enhanced Dissociation of Diatomic Molecules. (1985) (0)
Improved potential energy surfaces for the reaction O(/sup 3/P)+H/sub 2/. -->. OH+H (1988) (0)
Dynamics of Electronically Excited Species in Gaseous and Condensed Phase (1989) (0)
Themuonic He atom and a preliminary study of the 4 He μ + H 2 reaction (2008) (0)
Computer Simulations for the Microscopic Mechanism of Hot Gas Erosion (1980) (0)
Ab initio Predictions and Experimental Confirmation of Large Tunneling Contributions to Rate Constants and Kinetic Isotope Effects for Hydrogen Atom Transfer Reactions. (1986) (0)
Variational Transition State Theory Methods for Calculating Reaction Rate Constants in Gas and Condensed Phases (2000) (0)
Theory, Modeling and Simulation: Research progress report 1994--1995 (1997) (0)
Theoretical predictions of excitation cross sections for collisions of HF, HCl, CO, H/sub 2/O, and CO/sub 2/ with O(sup 3P) (1983) (0)

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What Schools Are Affiliated With Bruce C. Garrett?

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