Clifford E. Dykstra

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Clifford E. Dykstra

Chemistry

#3822

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#4865

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Computational Chemistry

#38

World Rank

#38

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Chemistry

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Clifford E. Dykstra'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

Theory and applications of computational chemistry : the first forty years (2005) (922)
Advanced theories and computational approaches to the electronic structure of molecules (1984) (324)
An electron pair operator approach to coupled cluster wave functions. Application to He2, Be2, and Mg2 and comparison with CEPA methods (1981) (292)
Derivative Hartree—Fock theory to all orders (1984) (218)
Ab Initio Calculation of the Structures and Properties of Molecules (1988) (146)
Changes in the electronic structure and vibrational potential of hydrogen fluoride upon dimerization: A well‐correlated (HF)2 potential energy surface (1984) (124)
A theory of self‐consistent electron pairs. Computational methods and preliminary applications (1976) (116)
Electron correlation in small metal clusters. Application of a theory of self‐consistent electron pairs to the Be4 system (1976) (107)
Electrostatic interaction potentials in molecular force fields (1993) (101)
An efficient and accurate approximation to double substitution coupled cluster wavefunctions (1981) (99)
The vinylidene-acetylene rearrangement. A self-consistent electron pairs study of a model unimolecular reaction (1978) (98)
Multipole polarizabilities and hyperpolarizabilities of AHn and A2Hn molecules from derivative Hartree-Fock theory (1987) (90)
A theory of vibrational transition frequency shifts due to hydrogen bonding (1986) (88)
Correlation of Carbon-13 and Oxygen-17 Chemical Shifts and the Vibrational Frequency of Electrically Perturbed Carbon Monoxide: A Possible Model for Distal Ligand Effects in Carbonmonoxyheme Proteins (1991) (86)
Molecular mechanics for weakly interacting assemblies of rare gas atoms and small molecules (1989) (84)
The nature of hydrogen bonding in the NN–HF, OC–HF, and HCN–HF complexes (1983) (81)
An examination of the Brueckner condition for the selection of molecular orbitals in correlated wavefunctions (1977) (77)
Electromagnetic properties of molecules from a uniform procedure for differentiation of molecular wave functions to high order (1991) (73)
Weakly bound complexes of carbon monoxide (1992) (73)
A Molecular Model for the Major Conformational Substates in Heme Proteins (1991) (72)
Structures and vibrational frequencies of small water complexes from electrical molecular mechanics (1989) (70)
The stabilities of the hydrogen fluoride trimer and tetramer (1986) (67)
Coupled-Cluster Methods for Molecular Calculations (1984) (65)
Dipole (electric field) and quadrupole (field gradient) polarizabilities of hydrogen, nitrogen, and acetylene from the application of derivative Hartree--Fock theory (1985) (64)
Application of an approximate double substitution coupled cluster (ACCD) method to the potential curves of CO and NeHe: Higher order correlation effects in chemically and weakly bonded molecules (1981) (63)
Hydrogen-bond swapping in the benzene-water complex. A model study of the interaction potential (1992) (61)
Improved counterpoise corrections for the abinitio calculation of hydrogen bonding interactions (1986) (59)
Efficient calculation of electrically based intermolecular potentials of weakly bonded clusters (1988) (59)
Static Dipole Polarizabilities of Organic Molecules. Ab Initio Calculations and a Predictive Model (1995) (58)
The structure and stability of the 10-F-2 trifluoride ion, a compound of a hypervalent first row element (1985) (58)
Electrical properties of ammonia and the structure of the ammonia dimer (1986) (58)
The H3+ potential surface (1979) (56)
An analytic representation of the six‐dimensional potential energy surface of hydrogen fluoride dimer (1988) (55)
Recent computational developments with the self‐consistent electron pairs method and application to the stability of glycine conformers (1981) (54)
Intermolecular electrical interaction: a key ingredient in hydrogen bonding (1988) (53)
The uncoupled symmetric stretching frequency of H3 (1978) (51)
Torsional vibrational modes of (HF)3: IR–IR double resonance spectroscopy and electrical interaction theory (1988) (51)
The hydrogen bonding influence on polarizability and hyperpolarizability. A derivative Hartree-Fock study of the electrical properties of hydrogen fluoride and the hydrogen fluoride dimer (1986) (49)
Local space approximation for configuration interaction and coupled cluster wave functions (1986) (49)
Structures and energies of cumulene carbenes (1979) (48)
J dependence of χa(14N) for the Ar–HCN dimer: Coupling of stretching and bending in the potential function (1989) (46)
Model study of the structures and stabilities of benzene-(H2O)2-12 complexes (1993) (45)
Major intermolecular effects on nonlinear electrical response in a hexatriene model of solid state polyacetylene (1999) (45)
Model studies of six-membered water clusters (1992) (44)
A theoretical study of the structure, bonding, and vibrational frequency shifts of the H2–HF complex (1986) (43)
Electron correlation and basis set effects in unimolecular reactions. A study of the model rearrangement system N2H2 (1979) (41)
Simplest magnesium cluster Grignard. Theoretical evidence for strong metal-metal stabilization of RMg2X species (1983) (41)
Derivative Numerov–Cooley theory. A method for finding vibrational state properties of diatomic molecules (1987) (41)
Structure and dynamics of the H2O–HCN dimer (1992) (39)
Rotational spectrum of the weakly bonded C6H6–H2S dimer and comparisons to C6H6–H2O dimer (2002) (39)
The influence of a second magnesium atom in unsolvated magnesium-hydrogen halide reactions (1985) (38)
Chemical-shift ranges in proteins (1992) (38)
Electronic structure of dicarbonyls. The ground state of glyoxal (1975) (37)
A study of the vinyl anion system. Rearrangements and formation from hydride(1-) ion and acetylene (1978) (36)
A water–water potential derived using a quantum Monte Carlo vibrational analysis (1994) (35)
Experimental and theoretical challenges in the chemistry of noncovalent intermolecular interaction and clustering (2000) (35)
Electronic structure of dicarbonyls. Glyoxal excited states (1975) (35)
A Distributed Model of the Electrical Response of Organic Molecules (1998) (34)
A theoretical study of propadienone and its isomers propynal and cyclopropenone (1981) (34)
Rotational patches: Stark effect, dipole moment, and dynamics of water loosely bound to benzene (2000) (34)
Electrical influence on monomer orientation in hydrogen bonded and other weakly bonded complexes (1986) (33)
Polarizabilities and hyperpolarizabilities of methane. The importance of valence charge polarization in polyatomic molecules (1985) (33)
Excited electronic states of ketene (1976) (33)
Bonding in the Mg4 cluster - An example of chemical bonding originating from electron correlation effects (1981) (33)
The equilibrium structures of the NN–HF and OC–HF complexes (1982) (32)
External electric field effects on the water trimer (1999) (31)
Intermolecular vibrational frequencies of (HF)n and (HCN)n weak complexes by electrical molecular mechanics (1990) (31)
Structures, stabilities, and intermolecular vibrational frequencies of small ammonia complexes by molecular mechanics for clusters analysis (1990) (31)
The cyanamide–isocyanamide rearrangement (1980) (31)
Pairwise and many‐body contributions to interaction potentials in Hen clusters (1993) (30)
Hydrogen Molecule Clusters (2004) (29)
Interaction potentials for dimer and trimer complexes with molecular nitrogen (1993) (28)
The strong hydrogen bond in HeHHe+ and its weak counterpart in HeH+3 (1983) (28)
Possible precursors in HCN oligomerization (1983) (27)
Further tests of the approximate double substitution coupled-cluster method (1987) (27)
The potential energy curves of HeBe, HeMg and BeMg (1982) (27)
Magnetic and electrical properties of benzene (1992) (27)
POTENTIAL ENERGY BARRIERS IN UNIMOLECULAR REARRANGEMENTS (1981) (25)
Additivity and Transferability of Atomic Contributions to Molecular Second Dipole Hyperpolarizabilities (2000) (25)
Conformational energetics in hydrogen-bonded dimers. The unobserved COHF complex (1983) (25)
Higher‐order electron correlation effects in triatomic potential energy surfaces. Stretching vibrations of HCN and HNC (1981) (24)
The equilibrium structure and rotational constant of HCC (1979) (24)
Large basis set study of the stability of (H2S)2: the importance of 3d functions in weak interaction of second row molecules (1995) (24)
The weak interaction potential of Ar–H2S (1997) (24)
ROTATIONAL SPECTRA AND STRUCTURES OF THE C6H6-HCN DIMER AND AR3-HCN TETRAMER (1995) (24)
Electrical polarization in diatomic molecules (1988) (24)
Three-body analytical potential for interacting helium atoms (1994) (23)
Weak interactions in extended HCN chains (1996) (23)
Electrically caused vibrational frequency shifts and dipole moments in rare gas hydrogen bonded complexes (1987) (23)
Interaction Potentials and Vibrational Effects in the Acetylene Dimer (2000) (23)
Local Quantum Chemistry (1990) (23)
The effects of basis set selection on the vibrational transition frequencies obtained from SCF and correlated wave functions for an uncomplicated molecule, LiH (1986) (22)
A Model Study of Aggregation of Acetylene Molecules (2000) (22)
An AB initio study of the [1,2] proton transfer from phosphine oxide to phosphinic acid (1987) (22)
Potential surfaces and intermolecular vibrational frequencies of hydrogen chloride complexes (1992) (22)
Molecular structure of acrolein electronic states (1976) (22)
Chemiluminescence of dioxetanone investigated by self-consistent-field theory (1980) (22)
Geometrical dependence of the electrical properties of H+3 (1988) (22)
Weakly bonded clusters of H2S (1996) (21)
MODELING WEAK INTERACTION ELEMENTS AFFECTING THE STRUCTURES AND VIBRATIONAL RED-SHIFTS OF ARNHF CLUSTERS (N= 1 TO ) (1998) (21)
Electron correlation effects on the excitation energies of the lowest triplet states of glyoxal (1977) (21)
General quantum mechanical operators. An open‐ended approach for one‐electron integrals with Gaussian bases (1990) (20)
Rotational spectrum and potential surface for Ar2–HCN: A T‐shaped cluster with internal rotation (1990) (20)
A molecular orbital comparison of the asymmetric and symmetric nitric oxide dimers (1981) (19)
Vibrational motion effects on molecular polarizabilities. Shifts in vibrational transition frequencies and transition moments of lithium hydride from applied electrical fields (1985) (19)
Theoretical characterization of the potential surfaces and properties of weakly bonded acetylene (1990) (19)
Quantum Chemistry and Molecular Spectroscopy (1992) (19)
Enhanced second-order treatment of electron pair correlation (2000) (19)
An AB initio prediction of the J = 1-0 transition frequency of HNCH/+1/ (1980) (19)
Allenic anions. Structure and inversion barrier of H2CCCH (1980) (19)
Rotational spectrum and structure of the Ne–HCN dimer (1993) (18)
Evolution of polarizabilities and hyperpolarizabilities with molecular aggregation: A model study of acetylene clusters (1992) (18)
Rotational spectrum and structure of the linear HCN-HCCH dimer (1991) (18)
Exploiting the link between CI and the coupled cluster model. estimates for cluster energies and wavefunctions and a means for the rapid determination of CCD wavefunctions (1982) (17)
Correlation of fluorine-19 chemical shielding and chemical shift nonequivalence (1993) (17)
Polarization counterpoise corrections to correlated hydrogen bond interaction energies (1987) (17)
Erratum: The nature of hydrogen bonding in the NN–HF, OC–HF, and HCN–HF complexes [J. Chem. Phys. 78, 4052 (1983)] (1984) (17)
Rotational spectra and structures of the Ar3–H2O and Ar3–H2S symmetric tops (2001) (17)
An abinitio study of the energies and structures of ketene, oxirene, and ethynol (1978) (17)
Internal rotation in the ground electronic state of allene (1977) (17)
Weak interaction potentials of large clusters developed from small cluster information (1990) (16)
Perfect pairing valence bond generalization of self‐consistent electron pair theory (1980) (16)
An ab initio study of the stability and electronic structure of univalent magnesium salts (1984) (15)
Intermolecular electrical interactions and the structures and rigidity of cyclic, weakly bonded complexes (1987) (15)
Computing nuclear magnetic resonance chemical shielding in large systems via multipole shielding polarizabilities (1993) (15)
Self‐consistent electron pair theory for certain types of open shell wavefunctions (1977) (15)
Quantum Monte Carlo vibrational analysis of the nitrogen-water complex (1994) (14)
Electrical effects on the vibrational transitions of hydrogen fluoride due to hydrogen bonding and applied fields (1986) (14)
Anharmonicity effects on zero point energies of weakly bound molecular clusters (2002) (14)
Nature of intermolecular electrical interactions in clusters (1987) (14)
AB INITIO CALCULATIONS OF LITHIUM HYDRIDE (1997) (13)
Concise, open‐ended implementation of Rys polynomial evaluation of two‐Electron integrals (1990) (13)
Derivative Hartree-Fock approach to molecular Sternheimer shielding. Calculation of intermolecular influence on nuclear quadrupole coupling (1993) (12)
Role of electron correlation and polarization functions in the energy difference between cis- and trans-1,2-difluoroethylene (1982) (12)
Basis set effects and gauge dependence of magnetic properties. A detailed study of carbon monoxide (1991) (12)
The strong, linear hydrogen bond in Al2H−7 (1982) (12)
Ab Initio Determination of Molecular Electrical Properties (2007) (12)
Physical Chemistry: A Modern Introduction (1997) (12)
Partially coupled electrical model of vibrational frequency shifts in weak atom-diatomic and diatomic-diatomic complexes (1993) (11)
Anomalous isotope effect in Ar–H2S versus the normal effect in Ne–H2S (1999) (11)
Computer Technology in Quantum Chemistry (1984) (11)
Electronic structure of nitrenes. Lithium nitride, the simplest ionic species (1975) (11)
Ab initio SCF study of hyperfine couplings, geometries, and inversion barriers in the isoelectronic radicals NF3+, CF3, and BF3― (1983) (11)
AB INITIO SCF STUDY OF HYPERFINE COUPLINGS, GEOMETRIES, AND INVERSION BARRIERS IN THE ISOELECTRONIC RADICALS NF3+, CF3, AND BF3- (1983) (11)
The most efficacious one‐electron bases for determining and representing correlated molecular electronic wave functions. Unity in seemingly disparate electron correlation methods (1982) (10)
Quantum monte carlo vibrational dynamics in a property‐based interaction potential scheme for weakly bound clusters (1997) (10)
Inclusion of some higher order effects with the self‐consistent electron pairs method for correlated molecular wavefunctions (1978) (10)
Selecting weak bonding sites: effect of a methyl group in the acetylene-polyyne interaction (2005) (9)
First derivatives of correlated wave functions by a matrix‐oriented method: Preliminary application to molecular dipole and quadrupole moments (1985) (9)
Rotational spectrum and structure of an (H2O–HCN)–Ar trimer (1995) (9)
Bond functions in the description of the water dimer (1995) (8)
Excitation energies of the n → π* 3A″ and π → π* 3A′ states of acrolein (1977) (8)
Intermolecular Interaction: From Properties to Potentials and Back (2003) (8)
Intra- and Intermolecular Electrial Effects on Nuclear Magnetic Resonance, Nuclear Quadrupole Resonance and Infra-Red pectroscopic Parameters from Ab Initio Calculation and Experiment: From CO to Proteins (1993) (8)
Introduction to molecular dynamics and chemical kinetics (1997) (8)
The Method of Self Consistent Electron Pairs. A Matrix Oriented Direct CI (1984) (8)
Molecular structure of the methyl anion CH - 3 . An investigation of the effects of electron correlation using the theory of self-consistent electron pairs (SCEP) (1999) (7)
Molecular quantum mechanics to biodynamics: Essential connections (2006) (7)
Quantum Monte Carlo study of the ground vibrational states of Ar2–6H2S clusters. A case of microsolvation (1997) (7)
Static polarizabilities of the magnesium atom (1995) (7)
Electrical influence on molecular conformation in glyoxal and glycine (2001) (7)
Derivative self‐consistent field theory within the local space approximation. I. Polymatrix formulation (1989) (6)
Calculation and Prediction of Structural Nmr Shifts in Respiratory Proteins (1995) (6)
Model Study of Weak Bonding to Weakly Bound Dimers (1995) (6)
Remarkable features in the interactions of quadrupolar molecules. (2006) (6)
Finding the way through intermolecular forces. Perspective on “Permanent and induced molecular moments and long-range intermolecular forces” (2000) (6)
Introduction to Quantum Chemistry (1993) (6)
Intermolecular electrical response (2001) (5)
Computing technologies, theories, and algorithms. The making of 40 years and more of theoretical and computational chemistry (2005) (5)
The structures and stabilities of H4C2N2 isomers (1987) (5)
Sensitivity of monomer nuclear quadrupole coupling constants to hydrogen bond formation (1987) (5)
Pinwheel binding of hydrogen molecules to acetylene (2004) (5)
Clustering of molecular hydrogen around benzene (2006) (5)
Significant Low-Order Effects in the Onset of Protonation and Related Interactions (2003) (5)
Diacetylene's weak bonding to acetylene clusters (2003) (4)
Isotropic and anisotropic proton chemical shielding surface of water (1993) (4)
The N2–benzene tethered top (2009) (4)
Theoretical methods and their application to ketenes and allenes (1981) (3)
Electron excitation effects on NMR shieldings in small organic molecules (1995) (3)
The Slippery Sliding Interaction of Acetylene with Polyynes (2002) (3)
Vibrational and correlation effects on properties of water (1999) (3)
BENCHMARK AB INITIO CALCULATIONS OF SMALL MOLECULES (1997) (3)
Ab initio and model investigation of acetylene clustering around hydrogen cyanide (2003) (3)
Reply to the comment on: Structures, stabilities, and intermolecular vibrational frequencies of small ammonia complexes by molecular mechanics for clusters analysis (1991) (2)
Erratum: Geometrical dependence of the electrical properties of H+3 [J. Chem. Phys. 88, 3817 (1988)] (1989) (2)
Convergence of a matrix-oriented coupled cluster (doubles) method (1988) (2)
Hydrogen bonding in mixed water tetramers (1996) (2)
Weak, long-range complexes of Mg with HF and H2 (1989) (2)
Vibrational and Rotational Transitions of Hydrogen Bonded Complexes from Theory and Experiment (1985) (1)
Potential construction via charge perturbation: HCN protonation (2004) (1)
MOLECULAR STRUCTURE OF THE METHYL ANION CH3-. AN INVESTIGATION OF THE EFFECTS OF ELECTRON CORRELATION USING THE THEORY OF SELF-CONSISTENT ELECTRON PAIRS (SCEP) (1978) (1)
The Unavoidable Importance of Electrostatic Effects in the Structures of Weakly Bonded Complexes (1987) (1)
The significance of double substitutions in well‐correlated electronic wave functions (2009) (1)
Vibrational and rotational transition frequencies and the stability of the HeHNCH+ ion (1984) (1)
Quantum Monte Carlo vibrational analysis and three-body effects in weakly bound clusters (1998) (0)
Properties of Molecules by Direct Calculation (2007) (0)
Equilibrium structure and rotational constant of HCC/sup +/ (1979) (0)
Slipperiness on Weak Interaction Potential Surfaces I. (2002) (0)
Geometrical dependence of the electrical properties of H/sup +//sub 3/ (1988) (0)
Electron pair operator approach to coupled cluster wave functions. Application to He/sub 2/, Be/sub 2/, and Mg/sub 2/ and comparison with CEPA methods (1981) (0)
EXPERIMENTAL AND THEORETICAL STUDIES OF HF DIMER (1984) (0)
Instructional approach to molecular electronic structure theory (1977) (0)
H/sub 3//sup +/ potential surface (1979) (0)
An open‐ended self‐consistent field method. A simulation of a molecular orbital technique for small memory computers (1982) (0)
Structure and Stability of the 10-F-2 Trifluoride Ion, a Compound of a Hypervalent First Row Element. (1986) (0)
Interplay of electric field effects and vibrational polarization in ArnHF clusters (1999) (0)
Uncoupled symmetric stretching frequency of H/sub 3//sup +/ (1978) (0)
Erratum: Perfect pairing valence bond generalization of self‐consistent electron pair theory [J. Chem. Phys. 72, 2928 (1980)] (1980) (0)
THE CYANAMIDE-ISOCYANAMIDE REARRANGEMENT (1981) (0)
Quantum monte carlo vibrational dynamics in a property-based interaction potential scheme for weakly bound clusters (1997) (0)
ELECTRONIC STRUCTURE OF NITRENES: LiN, THE SIMPLEST IONIC SPECIES (1975) (0)
ROTATIONAL SPECTRUM OF $Ar_{2}$-HCN, A VERY FLOPPY T (1990) (0)
MODEL CALCULATIONS ON A COLLECTION OF WEAKLY BOUND TRIMERS (1995) (0)
THE THEORY AND APPLICATIONS OF THE METHOD OF SELF-CONSISTENT ELECTRON PAIRS (1976) (0)
Physical chemistry : a modern introduction / Clifford E. Dykstra (1997) (0)
ELECTRON PAIR OPERATOR STUDIES OF ELECTRON CORRELATION IN WEAKLY BOUND MOLECULES (1982) (0)

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Indiana University

Clifford E. Dykstra's Academic­Influence.com Rankings

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Clifford E. Dykstra's Published Works

Published Works

What Schools Are Affiliated With Clifford E. Dykstra?

Clifford E. Dykstra's AcademicInfluence.com Rankings