Julia Rice
#132,296
Most Influential Person Now
British-American computational chemist
Julia Rice's AcademicInfluence.com Rankings
Julia Ricechemistry Degrees
Chemistry
#3672
World Rank
#4710
Historical Rank
Computational Chemistry
#63
World Rank
#63
Historical Rank
Download Badge
Chemistry
Julia Rice's Degrees
- PhD Chemistry University of Oxford
- Masters Chemical Engineering Imperial College London
Why Is Julia Rice Influential?
(Suggest an Edit or Addition)According to Wikipedia, Julia Elizabeth Rice is a British-American computational chemist who works for IBM Research at their Almaden Research Center in San Jose California. Her work their involves the study of nonlinear optics in the simulation of organic molecules, the development of the Mulliken software package for quantum chemistry, the management of scientific data, and connections to statistical mechanics.
Julia Rice'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
- Problems in the comparison of theoretical and experimental hyperpolarizabilities (1992) (500)
- Measurements and calculations of the hyperpolarizabilities of atoms and small molecules in the gas phase (1994) (435)
- Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: Theory and application (1987) (331)
- DiscoveryLink: A system for integrated access to life sciences data sources (2001) (302)
- Ion solvation in polarizable water: molecular dynamics simulations (1991) (292)
- The closed‐shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results (1987) (268)
- Solvent dependence of the second order hyperpolarizability in p-nitroaniline (1992) (233)
- Theoretical investigations of molecules composed only of fluorine, oxygen and nitrogen: determination of the equilibrium structures of FOOF, (NO)2 and FNNF and the transition state structure for FNNF cis-trans isomerization (1989) (213)
- The analytic configuration interaction gradient method: Application to the cyclic and open isomers of the S3 molecule (1986) (208)
- The elimination of singularities in derivative calculations (1985) (202)
- The reaction mechanism for the organocatalytic ring-opening polymerization of l-lactide using a guanidine-based catalyst: hydrogen-bonded or covalently bound? (2008) (201)
- Electron correlation effects in hyperpolarizabilities of p-nitroaniline (1993) (192)
- Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15. (2017) (180)
- The calculation of frequency‐dependent polarizabilities as pseudo‐energy derivatives (1991) (157)
- On the necessity of f basis functions for bending frequencies (1988) (144)
- On the efficient evaluation of analytic energy gradients (1985) (131)
- Organocatalytic depolymerization of poly(ethylene terephthalate) (2011) (121)
- An efficient closed-shell singles and doubles coupled-cluster method (1988) (114)
- Frequency dependent hyperpolarizabilities with application to formaldehyde and methyl fluoride (1990) (113)
- A theoretical study of Na(H2O)+n (n=1–4) (1991) (105)
- Theoretical characterization of tetrahedral N4 (1991) (105)
- AB-initio prediction of properties of carbon dioxide, ammonia, and carbon dioxide...ammonia (1985) (105)
- Derivation of fixed partial charges for amino acids accommodating a specific water model and implicit polarization. (2013) (98)
- Hydrogen-bonding catalysts based on fluorinated alcohol derivatives for living polymerization. (2009) (94)
- Calculation of vibrational dynamic hyperpolarizabilities for H2O, CO2, and NH3 (1993) (94)
- The calculation of frequency‐dependent hyperpolarizabilities including electron correlation effects (1992) (93)
- Catalytic insights into acid/base conjugates: highly selective bifunctional catalysts for the ring-opening polymerization of lactide. (2011) (92)
- ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins (2014) (88)
- The determination of accurate dipole polarizabilities α and γ for the noble gases (1991) (88)
- A study of solvent effects on hyperpolarizabilities: The reaction field model applied to acetonitrile (1993) (86)
- Alchemical prediction of hydration free energies for SAMPL (2012) (79)
- Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents? (2019) (79)
- Advanced chemical recycling of poly(ethylene terephthalate) through organocatalytic aminolysis (2013) (77)
- Parallel direct SCF and gradient program for workstation clusters (1993) (76)
- DESIGN OF OPTIMIZED PHOTOREFRACTIVE POLYMERS : A NOVEL CLASS OF CHROMOPHORES (1996) (73)
- Polymerizing Base Sensitive Cyclic Carbonates Using Acid Catalysis. (2013) (72)
- Reducing qubit requirements for quantum simulation using molecular point group symmetries. (2019) (71)
- An extensive ab initio study of the structures, vibrational spectra, quadratic force fields, and relative energetics of three isomers of Cl2O2 (1992) (64)
- Organic acid-catalyzed polyurethane formation via a dual-activated mechanism: unexpected preference of N-activation over O-activation of isocyanates. (2013) (64)
- A comparison of calculated and experimental hyperpolarizabilities for acetonitrile in gas and liquid phases (1993) (64)
- Binding energies and bond distances of Ni(CO)x, x=1–4: An application of coupled‐cluster theory (1991) (62)
- Acyclic Guanidines as Organic Catalysts for Living Polymerization of Lactide (2010) (62)
- The effect of water models on the interaction of the sodium–chloride ion pair in water: Molecular dynamics simulations (1990) (60)
- Catalyst Chelation Effects in Organocatalyzed Ring-Opening Polymerization of Lactide. (2012) (56)
- Mechanisms of organocatalytic amidation and trans-esterification of aromatic esters as a model for the depolymerization of poly(ethylene) terephthalate. (2012) (55)
- The polarizabilities of neon (1989) (54)
- Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms (1992) (48)
- Experimental and computational studies on the mechanism of zwitterionic ring-opening polymerization of δ-valerolactone with N-heterocyclic carbenes. (2014) (47)
- [5]Paracyclophane: an important example of ring strain and aromaticity in hydrocarbon compounds (1987) (47)
- The efficient evaluation of configuration interaction analytic energy second derivatives: Application to hydrogen thioperoxide, HSOH (1986) (46)
- Dominant Decomposition Pathways for Ethereal Solvents in Li-O2 Batteries. (2015) (43)
- Accounting for polarization cost when using fixed charge force fields. I. Method for computing energy. (2010) (43)
- Ab initio determination of the nonlinear optical properties of HCl (1992) (41)
- Computational Investigations of the Lithium Superoxide Dimer Rearrangement on Noisy Quantum Devices. (2019) (41)
- Unexpected efficiency of cyclic amidine catalysts in depolymerizing poly(ethylene terephthalate) (2013) (41)
- Infrared spectrum of F.hivin..cntdot.H2O (1988) (40)
- The low-lying states of silylene (1984) (39)
- Frequency‐dependent hyperpolarizabilities for argon, krypton, and neon: Comparison with experiment (1992) (38)
- The structure of cis-butadiene (1989) (37)
- Integrating life sciences data-with a little Garlic (2000) (37)
- A multiconfiguration self‐consistent‐field (MCSCF) study of the bent and linear conformations of HCCN (1987) (36)
- The energy separation between the classical and nonclassical isomers of protonated acetylene. An extensive study in one‐ and n‐particle space (1991) (35)
- Accounting for polarization cost when using fixed charge force fields. II. Method and application for computing effect of polarization cost on free energy of hydration. (2010) (35)
- The infrared spectrum of the acetylene radical cation C2H+2. A theoretical study using SCF, MCSCF, and CI methods (1987) (35)
- The analytic gradient for the coupled pair functional method: Formula and application for HCl, H2CO, and the dimer H2CO⋅⋅⋅HCl (1988) (34)
- Proton affinity of methyl nitrate - Less than proton affinity of nitric acid (1992) (34)
- Connected triple excitations in coupled-cluster calculations of hyperpolarizabilities: neon (1992) (34)
- N-Heterocyclic Carbene-Catalyzed Ring Opening Polymerization of ε-Caprolactone with and without Alcohol Initiators: Insights from Theory and Experiment. (2015) (30)
- Emerging quantum computing algorithms for quantum chemistry (2021) (29)
- Fast 3D molecular superposition and similarity search in databases of flexible molecules (2003) (27)
- An MCSCF study of the X2B2, 2A2 and 2 2B2 states of benzyl (1987) (27)
- Ab initio study of the chlorine nitrate protonation reaction - Implications for loss of ClONO2 in the stratosphere (1993) (26)
- Quantum computation of dominant products in lithium-sulfur batteries. (2020) (25)
- Implementation of analytic derivative methods in quantum chemistry (1989) (24)
- Metaphosphate and tris(methylene)metaphosphate [P(CH2)3-] anions. Do they have three double bonds to phosphorus? (1987) (24)
- How bent can a benzene be? The molecular structure, infrared spectrum and energetics of [6]paracyclophane (1988) (24)
- Second-order perturbation theory and configuration interaction theory applied to medium-sized molecules: cyclopropane, ethylenimine, ethylene oxide, fluoroethane, and acetaldehyde (1988) (22)
- Reactions involving CO2, H2O, and NH3: The formation of (i) carbamic acid, (ii) urea, and (iii) carbonic acid (1986) (19)
- QM/MM-Based Fitting of Atomic Polarizabilities for Use in Condensed-Phase Biomolecular Simulation. (2012) (19)
- Silicocene, (C5H5)2Si: a highly symmetric sandwich compound? (1989) (19)
- Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: A comparison with configuration interaction (CCSD, CISDT, and CISDTQ) results for the harmonic vibrational frequencies, infrared intensities, dipole moment, and inversion barrier of amm (1987) (19)
- An analysis of chlorine and bromine oxygen bonding and its implications for stratospheric chemistry (1999) (19)
- The molecular structure of cis-FONO (1994) (19)
- FONO : a difficult case for theory and experiment (1992) (19)
- FLASHFLOOD: A 3D Field-based similarity search and alignment method for flexible molecules (2001) (18)
- Molecular structure and infrared spectrum of protonated nitrous oxide (1986) (18)
- Techniques Used in Evaluating Orbital and Wavefunction Coefficients and Property Derivatives — eg The Evaluation of M(B)P(T)-2 Second Derivatives (1986) (17)
- Quantum simulation of electronic structure with a transcorrelated Hamiltonian: improved accuracy with a smaller footprint on the quantum computer. (2020) (17)
- Computational investigations on base-catalyzed diaryl ether formation. (2013) (16)
- Comparison of single and double excitation coupled cluster and configuration interaction theories: determination of structure and equilibrium propertie (1987) (16)
- The molecular structures and energetics of [7]paracyclophane and [8]paracyclophane. an investigation of the boundaries of aromaticity (1988) (15)
- Molecular Dynamics Simulations of Star Polymeric Molecules with Diblock Arms, a Comparative Study. (2012) (15)
- Quantum Chemistry Simulations of Dominant Products in Lithium-Sulfur Batteries (2020) (14)
- The varying nature of fluorine oxygen bonds (1996) (13)
- On the orbital contribution to analytical derivatives of perturbation theory energies (1995) (9)
- Role of hydrophilicity and length of diblock arms for determining star polymer physical properties. (2015) (9)
- Water soluble, biodegradable amphiphilic polymeric nanoparticles and the molecular environment of hydrophobic encapsulates: Consistency between simulation and experiment (2015) (8)
- Synthesis of diblock copolymers by combination of organocatalyzed ring‐opening polymerization and atom transfer radical polymerization using trichloroethanol as a bifunctional initiator (2016) (8)
- Identifying Molecular Structural Aromaticity for Hydrocarbon Classification (2018) (8)
- Structural transition of nanogel star polymers with pH by controlling PEGMA interactions with acid or base copolymers (2016) (7)
- Influence of Solvent on the Drug-Loading Process of Amphiphilic Nanogel Star Polymers. (2018) (6)
- Formation of bis-benzimidazole and bis-benzoxazole through organocatalytic depolymerization of poly(ethylene terephthalate) and its mechanism (2020) (5)
- Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor (2022) (5)
- DiscoveryLink (2003) (5)
- Effect of Hydrophobic Core Topology and Composition on the Structure and Kinetics of Star Polymers: A Molecular Dynamics Study. (2017) (4)
- Quantum simulation of electronic structure with transcorrelated Hamiltonian: increasing accuracy without extra quantum resources (2020) (4)
- CHAPTER 11 – DiscoveryLink (2003) (4)
- Consensus Computational Ligand‐Based Design for the Identification of Novel Modulators of Human Estrogen Receptor Alpha (2012) (4)
- MOlecular Systems for Nonlinear Optical Applications (1992) (3)
- Design of chromophores for nonlinear optical applications (1991) (3)
- Binding Energies and Bond Distances of Ni(CO)x, x = 1-4: An Application of Coupled-Cluster Theory. (1992) (3)
- N-Electron Valence Perturbation Theory with Reference Wave Functions from Quantum Computing: Application to the Relative Stability of Hydroxide Anion and Hydroxyl Radical. (2022) (2)
- Quantum Computation of Reactions on Surfaces Using Local Embedding (2022) (2)
- Data Management in Molecular and Cell Biology: Vision and Recommendations (2003) (2)
- Simulation and Experiments To Identify Factors Allowing Synthetic Control of Structural Features of Polymeric Nanoparticles. (2016) (2)
- Finding Similar Objects Using a Taxonomy: A Pragmatic Approach (2006) (2)
- Elemental phosphorus slag exposure study in Southeastern Idaho, USA (2002) (1)
- The Infrared Spectrum of F-·H2O. (1988) (1)
- Challenges in the Use of Quantum Computing Hardware-Efficient Ansätze in Electronic Structure Theory. (2023) (1)
- MCSCF Study of the X 2B2, 2A2 and 2 2B2 States of Benzyl. (1988) (1)
- OrganocatalytU Depolymerization of Poly(ethylene terephthalate) (2011) (0)
- Metaphosphate and Tris(methylene)metaphosphate (P(CH2)‐ 3) Anions. Do They Have Three Double Bonds to Phosphorus? (1987) (0)
- Foreword (2015) (0)
- Second-Order Perturbation Theory and Configuration Interaction Theory Applied to Medium-Sized Molecules: Cyclopropane, Ethylenimine, Ethylene Oxide, Fluoroethane, and Acetaldehyde. (1988) (0)
- Tribute to William C. Swope. (2014) (0)
- An Intramolecular Arene-Triflate Coupling Reaction for the Regiospecific Synthesis of Substituted Benzofluoroanthenes. (1993) (0)
- Accuracy assessment of variational quantum computing Ansatze across a database of electronic structure problems (2022) (0)
- Proton Affinity of Methyl Nitrate: Less than Proton Affinity of Nitric Acid. (1993) (0)
- Infrared spectrum of the acetylene radical cation C/sub 2/H/sup +//sub 2/. A theoretical study using SCF, MCSCF, and CI methods (1987) (0)
- of Core Topology and Composition on the Structure and Kinetics of Star Polymers: A Molecular Dynamics Study. (2018) (0)
- (5)Paracyclophane: An Important Example of Ring Strain and Aromaticity in Hydrocarbon Compounds (1987) (0)
This paper list is powered by the following services:
Other Resources About Julia Rice
What Schools Are Affiliated With Julia Rice?
Julia Rice is affiliated with the following schools:
