Citation Impact
Citing Papers
Spin‐unrestricted character of Kohn‐Sham orbitals for open‐shell systems
1995 StandoutNobel
”Developing paradigms of chemical bonding: adaptive natural density partitioning
2008 Standout
Internal rotation in conjugated molecules: nitroehtylene and nitrobenzene
1990 StandoutNobel
Distributed multipole analysis
1985 Standout
Microwave optical double resonance spectrum of NH2. III. 1H and 14N hyperfine coupling constants and spin rotation constants in X 2B1
1977 StandoutNobel
A direct MP2 gradient method
1990 StandoutNobel
Modeling the potential of a charge distribution
1992 StandoutNobel
A second order multiconfiguration SCF procedure with optimum convergence
1985 Standout
Captodative substituet effects - Part XXII radical dehydrodimerisation and bridged dehydrodimerisation of macrocyclic polyethers
1984 StandoutNobel
A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
1980 Standout
PRACTICAL PERFORMANCE ASSESSMENT OF ACCOMPANYING COORDINATE EXPANSION RECURRENCE RELATION ALGORITHM FOR COMPUTATION OF ELECTRON REPULSION INTEGRALS
2005 StandoutNobel
Principles for a direct SCF approach to LICAO –MO ab‐initio calculations
1982
The structure of carbon trioxide
1980 StandoutNobel
General atomic and molecular electronic structure system
1993 Standout
Calculations of the isotropic hyperfine coupling constants in free radicals
1973
Carrier-Based Ion-Selective Electrodes and Bulk Optodes. 1. General Characteristics
1997 Standout
The prism algorithm for two‐electron integrals
1991 StandoutNobel
A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methods
1992 Standout
Microwave optical double resonance of NH2. VI. Ground state of NHD
1980 StandoutNobel
Microwave optical double resonance spectrum of NH2. I. Ground state, 14N hyperfine coupling constants, and spin rotation constants
1976 StandoutNobel
Toward reliable density functional methods without adjustable parameters: The PBE0 model
1999 Standout
Vibrational modulation effects on the hyperfine coupling constants of fluoromethyl radicals
1993
MP2 energy evaluation by direct methods
1988 StandoutNobel
Ab initio calculations on some small radicals by the unrestricted hartree-fock method
1974
A method for two-electron Gaussian integral and integral derivative evaluation using recurrence relations
1988 StandoutNobel
MOLCAS: a program package for computational chemistry
2003 Standout
Self-consistent molecular orbital methods. XVI. Numerically stable direct energy minimization procedures for solution of Hartree–Fock equations
1976 StandoutNobel
Theoretical study of the properties of methyl radical
1983
Capto‐dative Substituent Effects in Syntheses with Radicals and Radicophiles [New synthetic methods (32)]
1979
Ab initio theoretical predictions of C28, C28H4, C28F4, (Ti@C28)H4, and M@C28 (M=Mg, Al, Si, S, Ca, Sc, Ti, Ge, Zr, and Sn)
1993 StandoutNobel
Analysis of the geometry of the hydroxymethyl radical by the “different hybrids for different spins” natural bond orbital procedure
1988 Standout
Self-consistent molecular orbital methods. XVIII. Constraints and stability in Hartree–Fock theory
1977 StandoutNobel
Direct analytic SCF second derivatives and electric field properties
1990 StandoutNobel
Electronic structure calculations on workstation computers: The program system turbomole
1989 Standout
An efficient second-order MC SCF method for long configuration expansions
1985 Standout
Rotational and hyperfine parameters of NH2(X2B1) from LMR spectra
1976
Kinetic Isotope Effect and Extended pH-Dependent Studies of the Oxidation of Hydroxylamine by Hexachloroiridate(IV): ET and PCET
2007
ELF: The Electron Localization Function
1997 Standout
Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange
2008 Standout
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
1988 Standout
Calculations of the anisotropic hyperfine coupling constants in free radicals
1973
Proton-Coupled Electron Transfer
2012 Standout
Optimization of orbitals for multiconfigurational reference states
1978
Two‐electron repulsion integrals over Gaussian s functions
1991 StandoutNobel
Semi-direct algorithms for the MP2 energy and gradient
1990 StandoutNobel
Works of N. A. Smith being referenced
Comparison of minimization procedures for UHF wave functions
1971
Ab initio UHF calculations. Part 4.—The radical ion NH+3
1970
Ab initio UHF calculations. Part 7.—Possible evidence for environmental effects on the radicals BH–3, CH3and NH+3
1972
Electronegativity and the Structure of Radicals
1970
Ab initio UHF calculations. Part 6.—Anisotropic coupling constants
1971
Ab initio UHF calculations of hyperfine coupling constants
1970