J. Stephen Binkley
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J. Stephen Binkleychemistry Degrees
Chemistry
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#3842
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Quantum Chemistry
#35
World Rank
#35
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Chemistry
J. Stephen Binkley's Degrees
- PhD Chemistry University of California, Berkeley
- Bachelors Chemistry University of California, Berkeley
Why Is J. Stephen Binkley Influential?
(Suggest an Edit or Addition)J. Stephen Binkley'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
- Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions (1980) (11997)
- Self‐consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets (1984) (6013)
- Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements (1982) (5850)
- Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements (2002) (1622)
- Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements (1980) (1326)
- Self-consistent molecular orbital methods. 24. Supplemented small split-valence basis sets for second-row elements (1982) (941)
- Electron correlation theories and their application to the study of simple reaction potential surfaces (1978) (728)
- Møller–Plesset theory for atomic ground state energies (1975) (639)
- Extensive theoretical studies of the hydrogen‐bonded complexes (H2O)2, (H2O)2H+, (HF)2, (HF)2H+, F2H−, and (NH3)2 (1986) (533)
- Theoretical models incorporating electron correlation (2009) (532)
- Self‐consistent molecular orbital methods. XVII. Geometries and binding energies of second‐row molecules. A comparison of three basis sets (1976) (532)
- Structure, stability, and fragmentation of small carbon clusters (1987) (486)
- Analytic Raman intensities from molecular electronic wave functions (1986) (283)
- Analytic evaluation and basis set dependence of intensities of infrared spectra (1986) (242)
- Application of ab initio molecular orbital calculations to the structural moieties of carbohydrates. 3 (1978) (223)
- Theoretical thermochemistry. 1. Heats of formation of neutral AHn molecules (A = Li to Cl) (1985) (215)
- Derivative studies in hartree-fock and møller-plesset theories (2009) (210)
- Effect of electron correlation on theoretical equilibrium geometries (1979) (184)
- Comprehensive theoretical study of isomers and rearrangement barriers of even-electron polyatomic molecules HmABHn (A, B = carbon, nitrogen, oxygen, and fluorine) (1983) (158)
- A theoretical study of the heats of formation of silicon hydride (SiHn), silicon chloride (SiCln), and silicon hydride chloride (SiHnClm) compounds (1985) (145)
- Molecular orbital studies of vibrational frequencies (2009) (128)
- Self‐consistent molecular orbital methods. XIX. Split‐valence Gaussian‐type basis sets for beryllium (1977) (119)
- The malonaldehyde equilibrium geometry: A major structural shift due to the effects of electron correlation (1985) (109)
- First and second derivatives of two electron integrals over Cartesian Gaussians using Rys polynomials (1984) (108)
- Theoretical study of the heats of formation of Si2Hn (n = 0-6) compounds and trisilane (1986) (107)
- Structures and stabilities of sulfur clusters (1990) (103)
- The calculation of spin-restricted single-determinant wavefunctions (1974) (101)
- Infrared spectra of edge-shared silicate tetrahedra (1989) (95)
- Correlation energies for AH n molecules and cations (1975) (87)
- Quantum chemical studies of a model for peptide bond formation: formation of formamide and water from ammonia and formic acid (1982) (87)
- THEORETICAL STUDY OF THE RELATIVE STABILITIES OF C2H2 AND SI2H2 CONFORMERS (1984) (85)
- Molecular orbital theory of the electronic structure of molecules. 34. Structures and energies of small compounds containing lithium or beryllium. Ionic, multicenter, and coordinate bonding (1977) (81)
- Thermal decomposition of silane. (1986) (78)
- Abinitio calculation of reaction energies. III. Basis set dependence of relative energies on the FH2 and H2CO potential energy surfaces (1984) (72)
- Neutron diffraction at 23 K and ab initio molecular-orbital studies of the molecular structure of acetamide (1980) (64)
- Molecular orbital theory of the electronic structure of organic compounds. XXI. Rotational potentials for germinal methyl groups (1974) (60)
- The quantum mechanical calculation of rotational spectra. A comparison of methods for C2H2, HCN, HNC, HCO+, N2H+, CO and N2. Predictions for HCNH+, COH+, HBO, HBNH, and HBF+. (1984) (57)
- Ab initio structures of allyllithium (1978) (54)
- Molecular orbital theory of the electronic structure of molecules. 30. Structure and energy of the phenyl cation (1976) (51)
- Relative stability of 1,2-difluoroethylenes (1977) (48)
- Further theoretical examination of the F + H2 entrance channel barrier (1985) (43)
- MOLECULAR ORBITAL THEORY OF THE ELECTRONIC STRUCTURE OF MOLECULES. 38. FLEXIBLE OLEFINS PREFERRING NONPLANAR PUCKERED STRUCTURES (1978) (42)
- Theoretical study of the structure and spectroscopic characteristics of protonated carbon dioxide (1985) (41)
- Molecular orbital theory of the electronic structure of molecules. 29. The interaction of molecular hydrogen with simple Lewis acids (1976) (40)
- A theoretical study of the properties of BH3NH3 (1983) (37)
- Vibrational frequencies of the HCCN molecule. A near degeneracy between bent cyanocarbene and linear allene-related geometries (1983) (36)
- Small elemental clusters: theoretical study of P, P2, P4 and P8 (1985) (36)
- Parallel algorithms for quantum chemistry. I. Integral transformations on a hypercube multiprocessor (1987) (34)
- Analytic evaluation of infrared intensities and polarizabilities by two-configuration self-consistent field wave functions (1986) (30)
- Vibrational frequencies and infrared intensities for malonaldehyde: a post-Hartree-Fock theoretical study (1986) (30)
- Electron correlation and basis set effects on the relative stabilities of classical and nonclassical structures of the 2-norbornyl cation (1983) (29)
- The cyclic structure of monomeric dilithioacetylene (1976) (29)
- Thermochemistry of the decomposition of nitramines in the gas phase (1988) (27)
- Dimerization energy of borane (1987) (27)
- Assessing and improving the effectiveness of National Research Laboratories (2003) (27)
- Global potential energy hypersurface for dynamical studies of energy transfer in HF--HF collisions (1987) (26)
- Molecular orbital theory of the electronic structure of organic compounds. 25. Conformations of methyl- and fluoro-substituted cyclopentanes and cyclohexanes (1976) (26)
- Stabilization of perpendicular olefins. The structures and rotational barriers of singlet and triplet 1,1-dilithioethylenes (1976) (24)
- A carbon Auger line shape study of nitroaromatic explosives (1984) (22)
- The molecular structure of ammonia oxide (NH3O). An ab initio study (1977) (21)
- Extended basis set studies of hydrocarbon molecular orbital energies (1975) (21)
- Additions and Corrections - Effect of Electron Correlation on Theoretical Equilibrium Geometries (1980) (19)
- RAM cell recovery mechanisms following high-energy ion strikes (1987) (19)
- Energetics of the reaction pathways for NH2+NO→ products and NH+NO→products (1985) (18)
- Is N-protonated hydrogen isocyanide, H2NC+, an observable interstellar species? (1986) (17)
- Hydrogen-atom abstraction from alkanes by OH. I. Neopentane and neooctane (1985) (15)
- The effects of basis set and electron correlation on the structure and stability of Be4 and Be13 (1987) (15)
- A moller–plesset study of the energies of AHn molecules (A = Li to F) (2009) (12)
- GAUSSIAN 76: an ab initio molecular orbital program (1978) (9)
- Carbon-beryllium binding in CH2Be (1977) (9)
- A high-precision ab initio determination of the equilibrium geometry and force field of HOC+. (1987) (8)
- Molecular orbital studies on cyclic sulfur clusters: S6S12 (1990) (4)
- Erratum: Analytic evaluation and basis set dependence of intensities of infrared spectra [J. Chem. Phys. 84, 2262 (1986)] (1986) (4)
- Ab initio study of catalyzed and uncatalyzed amide bond formation as a model for peptide bond formation: Ammonia‐formic acid and ammonia‐glycine reactions (2009) (2)
- Algorithmic Considerations in Large Mainframe Computers (1984) (2)
- Fragmentation of Neutral and Ionic Carbon Clusters (1987) (2)
- ab initio determination of bond dissociation energies: The first‐row diatomics co, N2, NO, O2, and F2 (2009) (2)
- Synthesis of Perhydroisoquinoline Ring Systems by jV ^ Acylimlnium Cyclization * (2020) (1)
- Off-Center N and O in Silicon (1985) (1)
- MOLECULAR ORBITAL THEORY OF THE ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS PART 21, ROTATIONAL POTENTIALS FOR GEMINAL METHYL GROUPS (1975) (1)
- MOLECULAR ORBITAL THEORY OF THE ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS. 25. ONFORMATIONS OF METHYL‐ AND FLUORO‐SUBSTITUTED CYCLOPENTANES A D CYCLOHEXANES (1977) (1)
- Reactions of NH and NH2 with O and O2. Theoretical studies (1984) (1)
- Attributes of a research environment that contribute to excellent research and development (1999) (1)
- SELF-CONSISTENT MOLECULAR-ORBITAL METHODS. 22. SMALL SPLIT-VALENCE BASIS SETS S FOR SECOND-ROW ELEMENTS (1980) (1)
- Sub-picosecond Resolution Time-to-Digital Converter (2006) (0)
- Shell Analogs of Closed Shell Reaction Paths : The Sw 2 ’ Case 8 (0)
- Problem Limitations and Cost Effectiveness Considerations in Computational Quantum Chemistry (1984) (0)
- Thermal Decomposition of Silane (1986) (0)
- Analytic evaluation of infrared intensities and polarizabilities by two-configuration field wave functions (1986) (0)
- Theoretical study of the properties of BH/sub 3/NH/sub 3/ (1983) (0)
- Moller-Plesset electron correlation studies of atoms and small molecules (1979) (0)
- Analytic Evaluation of IR Intensities and Polarizabilities by Two-Configuration SCF Wave Functions (1986) (0)
- The dream lab (2003) (0)
- VIBRATIONAL FREQUENCIES OF THE CYANOCARBENE (HCCN) MOLECULE. A NEAR DEGENERACY BETWEEN BENT CYANOCARBENE AND LINEAR ALLENE-RELATED GEOMETRIES (1983) (0)
- Ab initiomolecular orbital versus low-temperature neutron diffraction molecular structures for some organic molecules (1981) (0)
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