C.f.f Davidson E.r. Bender
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C.f.f Davidson E.r. Bendercomputer-science Degrees
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Computer Science
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(Suggest an Edit or Addition)C.f.f Davidson E.r. Bender's Published Works
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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
- Pattern recognition. Powerful approach to interpreting chemical data (1972) (428)
- NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE (1966) (294)
- Studies in Configuration Interaction: The First-Row Diatomic Hydrides (1969) (288)
- The iterative calculation of several of the lowest or highest eigenvalues and corresponding eigenvectors of very large symmetric matrices (1973) (181)
- Pattern recognition. II. Linear and nonlinear methods for displaying chemical data (1973) (170)
- K-Nearest Neighbor Classification Rule (pattern recognition) applied to nuclear magnetic resonance spectral interpretation (1972) (165)
- Potential Energy Surface Including Electron Correlation for F + H2 → FH + H: Refined Linear Surface (1972) (130)
- Interaction potential between two rigid HF molecules (1974) (120)
- Potential Energy Surface Including Electron Correlation for the Chemical F + H2 → FH + H I. Preliminary Surface (1972) (115)
- Model studies of chemisorption. Interaction between atomic hydrogen and beryllium clusters (1975) (103)
- Theoretical Calculation of the Potential Curves of the Be2 Molecule (1967) (103)
- Theoretical studies of photoexcitation and ionization in H2O (1982) (98)
- Photoabsorption in molecular nitrogen: A moment analysis of discrete‐basis‐set calculations in the static‐exchange approximation (1978) (95)
- Theoretical assignments of the low-lying electronic states of carbon dioxide (1973) (88)
- Avoided intersection of potential energy surfaces: The (H+ + H2, H + H2+) system (1973) (87)
- C2υ Potential Energy Surfaces for Seven Low‐Lying States of CH2 (1971) (81)
- Electronic Splitting between the 2B1 and 2A1 States of the NH2 Radical (1971) (78)
- New theoretical evidence for the nonlinearity of the triplet ground state of methylene (1970) (76)
- Potential energy surfaces related to the ion‐molecule reaction C+ + H2 (1974) (75)
- Theoretical Study of the LiH Molecule (1968) (73)
- Correlation Energy and Molecular Properties of Hydrogen Fluoride (1967) (72)
- Geometries of the excited electronic states of HCN (1974) (68)
- Integral transformations. A bottleneck in molecular quantum mechanical calculations (1972) (67)
- Singlet-triplet energy separation, Walsh-Mulliken diagrams, and singlet d-polarization effects in methylene (1972) (64)
- Molecular mechanics (MM2) calculations on peptides and on the protein Crambin using the CYBER 205 (1989) (64)
- A critical test of semiempirical FH2 potential energy sufaces: The barrier height for H + FH → HF + H (1975) (63)
- The application of pattern recognition to screening prospective anticancer drugs. Adenocarcinoma 755 biological activity test. (1974) (62)
- POTENTIAL ENERGY CURVES FOR DIATOMIC ZINC AND CADMIUM (1979) (61)
- Bending Frequency of the C3 Molecule (1972) (60)
- Electronic Structure of the B2 Molecule (1967) (59)
- On the H+F2→HF+F reaction. An ab initio potential energy surface (1973) (57)
- Multiconfiguration wavefuntions for the lowest (ππ*) excited states of ethylene (1972) (56)
- Interaction Energy of Two Ground‐State Helium Atoms at Small Internuclear Distances (1967) (55)
- An orthogonal feature selection method (1976) (54)
- Nonadditive interaction in molecular hydrogen at high pressure (1974) (52)
- Linear Symmetric H4 (1972) (51)
- Multiconfiguration Wavefunctions for the Water Molecule (1971) (51)
- Chemisorption and the properties of metal clusters (1976) (50)
- A new technique for describing the electronic states of atoms and molecules — The vector method☆ (1975) (48)
- Theoretical Description of Molecular Rydberg States: B 1Σ+ and Lowest 3Σ+ States of BH (1971) (48)
- Geometry and electronic structure of the hydroperoxyl radical (1971) (48)
- Perturbation theory for multiconfiguration reference states (1978) (47)
- Saddle point geometry and barrier height for H + F2 → HF + F (1974) (47)
- Low-energy electron-impact excitation of the hydrogen molecule (1976) (46)
- Repulsive intermolecular potential between two H2 molecules (1979) (46)
- Heats of formation of organic molecules. 2. The basis for calculations using either ab initio or molecular mechanics methods. Alcohols and ethers (1992) (44)
- Ground (2A1) and first excited (2B1(II)) states of CH2+ and BH2 (1971) (44)
- Theoretical prediction of the existence and properties of the lithium hydride dimer (1972) (41)
- Theoretical Study of Several Electronic States of the Hydrogen Fluoride Molecule (1968) (39)
- The structure of the H3O+ (hydronium) ion (1973) (36)
- Dimers of lithium fluoride and sodium hydride (1973) (34)
- THEORETICAL REACTION COORDINATE FOR THE METHYL ISOCYANIDE ISOMERIZATION (1972) (32)
- Correlation Energy Calculations and Unitary Transformations for LiH (1968) (32)
- Theoretical absorption spectra of ArKr (1978) (31)
- Interaction Potential between Ground State Helium Atom and the B 1Σu+ State of the Hydrogen Molecule (1972) (30)
- Geometry and force constant determination from correlated wave functions for polyatomic molecules: Ground states of H2O and CH2 (1972) (30)
- Hadamard transform and spectral analysis by pattern recognition (1973) (30)
- Potential energy surfaces for ion-molecule reactions. Intersection of the 3A2 and 2B1 surfaces of NH+2 (1977) (30)
- Concerted non-least-motion pathway for the singlet methylene insertion reaction CH/sub 2/(/sup 1/A/sub 1/) + H/sub 2/. -->. CH/sub 4/ (1977) (29)
- Barrier Height for the Exchange Reaction F + HF --> FH + F. (1974) (28)
- Simplest halogen atom plus alkali dimer potential surface: F+Li2→LiF+Li (1973) (27)
- Ab initio calculation of the inversion barrier in ammonia (1970) (26)
- Unitary Transformations and Pair Energies. III. Relation to Perturbation Theory (1972) (25)
- The least-motion insertion reaction methylene(1A1) + molecular hydrogen .fwdarw. methane. Theoretical study of a process forbidden by orbital symmetry (1976) (25)
- Some Features of the CH3NC→CH3CN Potential Surface (1972) (24)
- Fine-structure interactions in the ground state of O2 (1970) (23)
- A priori prediction of the cohesive energy of one-dimensional metallic hydrogen (1974) (23)
- Alternate representation of mass spectra for the spectral identification problem (pattern recognition) (1973) (23)
- Charge transfer of O/sup + +/ and Ne/sup + +/ with H (1979) (23)
- Transition states for the abstraction reactions of triplet methylene with hydrogen and methane (1976) (22)
- Heats of formation of organic molecules by ab initio calculations. 1. Aliphatic amines (1990) (22)
- The stability of the F2- ion: a model for dissociative attachment (1976) (21)
- Studies on symmetrically conjoined twins. (1967) (21)
- Unitary transformations and pair energies (1969) (20)
- An iterative procedure for the calculation of the lowest real eigenvalue and eigenvector of a nonsymmetric matrix (1970) (18)
- REACTION PATHWAYS FOR THE TRIPLET METHYLENE ABSTRACTION CH2((3)B1)+H2-CH3+H (1973) (18)
- Cross sections for the elastic scattering of low-energy electrons by molecular fluorine: an approximate theoretical treatment using discrete basis functions (1976) (17)
- Heats of formation of organic molecules by ab initio calculations. Aldehydes and ketones (1992) (17)
- Hyperfine structure measurements of high-lying levels of uranium (1979) (17)
- Heats of formation of organic molecules by Ab Initio calculations: Carboxylic acids and esters (1992) (16)
- Correlation of theory and experiment for high-pressure hydrogen (1972) (15)
- Confirmation of the discrepancy between theory and experiment for the B̃1A″ state of HCN (1975) (15)
- Systematics of the electronic states of the rare-earth trihalides (1980) (15)
- Geometry of the LiO2 radical (1973) (15)
- Excited electronic states of HNC, hydrogen isocyanide (1975) (14)
- Potential energy curves and predicted fluorescence for neon fluoride (1977) (14)
- The long range intermolecular potential of H2-H2 (1972) (13)
- Ionic excited states of Ne2F (1978) (13)
- Construction of optimum variables for spectral interpretation (pattern recognition) (1973) (13)
- The equations-of-motion method for F2: Transition energies, oscillator strengths and born cross sections☆ (1977) (12)
- Erratum: Repulsive intermolecular potential between two H2 molecules [J. Chem. Phys. 71, 5362 (1979)] (1980) (11)
- Solving chemical problems with pattern recognition (2004) (11)
- Self‐consistent‐field wavefunctions using a symmetry‐restricted annihilation of single‐excitations procedure (1976) (11)
- Franck-Condon Factors for the CH+ a 1rI-X 'E+ Transition (1973) (10)
- Application of Geminal Methods to Molecular Calculations (1968) (10)
- A peroxy isomer of nitrogen dioxide (1976) (10)
- Concerted non-least-motion pathway for the singlet methylene insertion reaction CH2(1A1) + H2 .fwdarw. CH4 (1976) (10)
- Multiclass linear classifier for spectral interpretation (pattern recognition) (1974) (10)
- An SCF‐stabilization approach to excited states embedded in the continuum (1977) (9)
- A New Method for Determining Configuration Interaction Wave Functions for the Electronic States of Atoms and Molecules: The Vector Method (1977) (9)
- Study of the photodetachment cross section of F (1978) (9)
- Heats of formation of organic molecules by ab initio methods: Thiaalkanes (1992) (7)
- Theoretical description of the 2A′' and 2A′ states of the peroxyformyl radical☆ (1975) (7)
- Uses of pair energy techniques in molecular calculations: The ammonia molecule (1970) (7)
- Spin-Adapted Vector Method: An Alternative to the Conventional Configuration Interaction Approach (1979) (5)
- The rotational barrier in dimethyl acetylene and related molecules (1974) (5)
- Potential energy surfaces for fluorine--hydrogen systems (1977) (2)
- Comment on Paper by Loeb and Rasiel: Another LiH Calculation? (1971) (2)
- Advances in Cryogenic Engineering Proceedings of the 1972 Cryogenic Engineering Conference (2009) (2)
- THE APPLICATION OF PATTERN RECOGNITION TO SCREENING PROSPECTIVE ANTICANCER DRUGS, ADENOCARCINOMA 755 BIOLOGICAL ACTIVITY TEST (1974) (2)
- Fluid flow in an axisymmetric, Sudden-Expansion Geometry (1996) (2)
- RECOG: a polyalgorithm for the analysis of generalized data sets. An operator's manual (1975) (1)
- PATTER: a polyalgorithm for the analysis of generalized data sets, principles and practice. [In FORTRAN IV for CDC computers] (1975) (1)
- Proton Affinities Calculated by Traditional ab initio Approaches and by Density Functional Methods (1)
- AB INITIO POTENTIAL CURVES OF THE GROUP II--MONO HALIDES (1977) (1)
- Theoretical studies involving candidate group via laser systems (A) (1978) (1)
- RECOG: pattern recognition analysis of generalized data sets. A user's manual (1973) (1)
- High-Density Hydrogen Research (1973) (1)
- Molecular design of bioactive molecules: pharmacophore model, bioactive conformation, and three-dimensional quantitative structure-activity relationships (1989) (1)
- RENNER TELLER STATES IN THE $NH_{2}$ MOLECULE (1971) (0)
- Chemical modeling and theoretical chemistry. Cross sections for the elastic and inelastic scattering of electrons by molecules (1975) (0)
- Erratum: Low-energy electron-impact excitation of the hydrogen molecule (1977) (0)
- Pattern recognition at Lawrence Livermore Laboratory (1975) (0)
- SIMPLEST HALOGEN ATOM PLUS ALKALI DIMER POTENTIAL SURFACE, F+LI2=LIF+LI (1973) (0)
- THE INSERTION REACTION OF SINGLET METHYLENE WITH MOLECULAR HYDROGEN (1976) (0)
- Pattern Recognition for Understanding and Modeling Materials Problems (1975) (0)
- Behavior of coal particles in flames -- A numerical simulation (1994) (0)
- Supercomputing in the 1990s A Distributed Solution (2020) (0)
- Potential energy surfaces for ion-molecule reactions. Intersection of the /sup 3/A/sub 2/ and /sup 2/B/sub 1/ surfaces of NH/sup +//sub 2/ (1976) (0)
- High performance computing and coal combustion research (1994) (0)
- MULTICONFIGURATION WAVEFUNCTIONS FOR THE $\Pi$-ELECTRON STATES OF ETHYLENE (1972) (0)
- Theoretical description of the 2A/double prime/ and 2A/prime/ states of the peroxyformyl radical. [for air pollution and Mars atmospheric studies] (1975) (0)
- FRANCK--CONDON FACTORS FOR THE CH$sup +$ A $sup 1$PI--X$sup 1$$Sigma$$sup +$ TRANSITION. (1973) (0)
- Application of pattern recognition techniques to crime analysis (1976) (0)
- AB INITIO RARE GAS--GROUP II DIATOMIC POTENTIAL CURVES (1977) (0)
- VECTOR METHOD CALCULATION IN $H_{2}O$ (1975) (0)
- SELECT: An Orthogonal Feature-Selection Method. (1974) (0)
- ALTERNATIVE METHODS FOE PRODUCING EXCITED STATES OF NeF: POTENTIAL ENERGY SURFACES OF $Ne_{2}F$ AND $NeF_{2}$ (1977) (0)
- Lawrence Berkeley National Laboratory Recent Work Title CONCERTED NON-LEAST-MOTION PATHWAY FOR THE SINGLET METHYLENE INSERTION REACTION (2013) (0)
- SOME FEATURES OF THE CH 3 NC -» CH 3 CN POTENTIAL SURFACE* (2013) (0)
- Theoretical Description of the doublet A'' and doublet A' States of the Peroxyformyl Radical. (1976) (0)
- MOLECULAR STRUCTURE AND PROPERTIES OF METHYLBERYLLIUM FLUORIDE AND METHYLMAGNESIUM FLUORIDE (1976) (0)
- THEORETICAL STUDIES OF THE HYDROGEN-FLUORINE SYSTEM (1975) (0)
- FIRST EXCITED STATES OF THE METHYL RADICAL (1972) (0)
- Theoretical studies involving candidate VIA laser systems (1977) (0)
- Natural orbitals, diatomic molecules and ERD (2002) (0)
- Long term compatibility behavior of bridgewires in detonators (1975) (0)
- A Fluid Flow Simulation on MPP Platforms (1997) (0)
- CONCERTED NON-LEAST-MOTION PATHWAY FOR THE SINGLET METHYLENE INSERTION REACTION CHz(1A1) +Hz -+ CH4 (2013) (0)
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