The Floating Spherical Gaussian Orbital Method

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

1969 • 4,043 citations

Approximate molecular orbital theory

1970 • 3,604 citations

On the Non-Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and Crystals

1950 • 2,996 citations

Quantum Theory of Molecules and Solids

1951 • 1,912 citations

N�herungsmethode zur L�sung des quantenmechanischen Mehrk�rperproblems

1930 • 1,701 citations

THE ATOM AND THE MOLECULE.

1916 • 1,594 citations

Localized Atomic and Molecular Orbitals

1963 • 1,526 citations

Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system

1950 • 1,204 citations

Valence and the structure of atoms and molecules

1923 • 675 citations

Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AH

1967 • 645 citations

The molecular orbital theory of chemical valency VIII. A method of calculating ionization potentials

1951 • 565 citations

Molecular orbital theory of the electronic structure of organic compounds. X. Systematic study of geometries and energies of AHn molecules and cations

1971 • 450 citations

Valence and the structure of atoms and molecules

1923 • 362 citations

Floating Spherical Gaussian Orbital Model of Molecular Structure. I. Computational Procedure. LiH as an Example

1967 • 337 citations

Molecular orbital theory of the electronic structure of organic compounds. VI. Geometries and energies of small hydrocarbons

1971 • 253 citations

Gaussian Expansion of Hydrogen-Atom Wavefunctions

1963 • 201 citations

Electronic structure of large molecular systems

1966 • 199 citations

A bibliography of ab initio molecular wave functions

1971 • 128 citations

Electronic Structure of Atoms and Molecules

2009 • 128 citations

Bemerkungen zum Self-consistent-field-Verfahren und zur Methode der Konfigurationenwechselwirkung in der Quantenchemie

1956 • 126 citations

A Floating spherical Gaussian orbital model of molecular structure. III. First-row atom hydrides

1968 • 109 citations

Floating Spherical Gaussian Orbital Model of Molecular Structure. II. One- and Two-Electron-Pair Systems

1967 • 108 citations

Ab Initio Calculations on Large Molecules

1972 • 106 citations

Floating spherical Gaussian orbital model of molecular structure. IV. Hydrocarbons

1968 • 97 citations

Theoretical definition of the size of electron pairs and its stereochemical implications

1973 • 89 citations

L. C. Snyder and H. Basch: Molecular Wave Functions and Properties: Tabulated from SCE Calculations in a Gussian Basis Set. John Wiley, N.Y. 1972. 432 Seiten. Preis: £ 6.65.

1973 • 81 citations

Methane as a Numerical Experiment for Polarization Basis Function Selection

1971 • 79 citations

Ab initio bond-orbital calculations. I. Application to methane, ethane, propane, and propylene

1968 • 75 citations

A floating spherical Gaussian orbital model of molecular structure

1970 • 67 citations

Point charge models for molecular properties

1973 • 63 citations

Ab Initio Calculations on Large Molecules Using Molecular Fragments. Hydrocarbon Characterizations

1971 • 61 citations

Floating Spherical Gaussian Orbital Model of Molecular Structure. IX. Diatomic Molecules of First-Row and Second-Row Atoms

1971 • 61 citations

Difference methods for the numerical solution of problems in gas dynamics

1963 • 61 citations

Molecular Orbital Theory of the Electronic Structure of Organic Compounds

1981 • 59 citations

Ab initio calculations on large molecules using molecular fragments. Model peptide studies

1973 • 53 citations

Molecular modelling with spherical Gaussians

1970 • 51 citations

Comparison of slater and contracted gaussian basis sets in SCF and CI calculations on H2O

1970 • 50 citations

Derivation of a total charge and dipole moment-preserving population analysis for FSGO wavefunctions

1975 • 49 citations

533. A quantum-mechanical treatment of aliphatic compounds. Part I. Paraffins

1953 • 48 citations

Point charge models for LiH, CH4, and H2O

1973 • 45 citations

A simple floating localized orbital model of molecular structure

1967 • 45 citations

Floating Spherical Gaussian Orbital Model of Molecular Structure. VI. Double-Gaussian Modification

1969 • 42 citations

The frost model and perturbation theory

1975 • 40 citations

Pseudopotentials and localized molecular orbitals. Application to the methane molecule

1972 • 38 citations

Floating Spherical Gaussian Orbital Model of Molecular Structure. VIII Second-Row Atom Hydrides

1971 • 38 citations

Floating spherical Gaussian orbital model of molecular structure. X. C3 and C4 saturated hydrocarbons and cyclobutane

1972 • 35 citations

Localized Orbitals. I. σ Bonds

1968 • 32 citations

Applications of a simple molecular wavefunction. Part 1.—Floating Spherical Gaussian Orbital calculations for propylene and propane

1974 • 26 citations

Simple ab initio studies on the isomers of N2H2, Li2O, C3H4, and O3

1975 • 25 citations

Local orbitals for bonding in ethane

1973 • 19 citations

Unparameterized localized orbital calculations for saturated hydrocarbons

1971 • 18 citations

Floating Spherical Gaussian Orbital Model Calculation for LiH2+, Li2H+, and Li3+

1970 • 18 citations

Ab initiocalculations with small ellipsoidal gaussian basis sets. I

1971 • 18 citations

Theoretical Calculations on the Ion Clusters Li(H2)+n and BeH(H2)+n

1970 • 17 citations

Ein neues Programm zur quantentheoretischen Berechnung von Molekülen und Atomsystemen

1964 • 17 citations

Ab initio calculations on large molecules using molecular fragments. Unrestricted Hartree-Fock calculations of the low-lying states of formaldehyde and its radical ions

1974 • 17 citations

Computation of the SCF Molecular Orbital Wavefunction in Terms of Localized Orbitals

1967 • 16 citations

Applications of a simple molecular wavefunction. Part 5.—Floating Spherical Gaussian Orbital open-shell calculations: introduction

1974 • 16 citations

Das <scp>SCF</scp>–<scp>MO</scp>–<scp>P</scp>(<scp>LCGO</scp>)‐Verfahren und seine Varianten

1968 • 16 citations

Use of Gaussian Wave Functions in Molecular Calculations

1957 • 15 citations

Gaussian orbital calculations of solids. Crystalline lithium hydride

1972 • 15 citations

High speed evaluation of F0(x)

1971 • 14 citations

The ions H n + and the possibility of LiH n + and BeH n +

1970 • 13 citations

An ab initio study of the conformation of 1,4-dioxadiene

1971 • 12 citations

Applications of a simple molecular wavefunction. Part 4.—The force fields of BH–4, CH₄and NH+4

1974 • 10 citations

The lone-pair orbital in NH3 and the calculation of the HNH angle

1973 • 8 citations

A floating spherical Gaussian orbital model of molecular structure. ESCA chemical shifts for inner shell electrons for small hydrocarbons

1972 • 8 citations

An ‘ ab initio ’ Gaussian orbital calculation of the (100) surface of crystalline lithium hydride

1972 • 8 citations

Molecular calculations using spherical gaussian orbitals. Part 1.—Optimisation of the atomic parameters for the first-row atoms

1974 • 8 citations

FSGO investigation of several conformers of cyclopentane

1974 • 7 citations

Comparative Study of Ellipsoidal Gaussians: H2 and H2++

1970 • 7 citations

Applications of a simple molecular wavefunction. Part 2.—The torsional barrier in ethane

1974 • 7 citations

Ab initiocalculations with small ellipsoidal gaussian basis sets. II

1971 • 7 citations

Floating ellipsoidal Gaussian orbital computations on small molecules

1974 • 6 citations

Calculation of the proton affinity of several small molecules by the FSGO method

1974 • 6 citations

The generalized separated electron pair model. III. An application to three localization schemes for CO

1972 • 5 citations

Theoretical study of the structure of protonated ethane (C2H 7 + )

1971 • 5 citations

Orbitales mol�culaires localis�es: structure �lectronique de la mol�cule de m�thane

1972 • 5 citations

On the localized nature of FSGO wavefunctions

1974 • 5 citations

Quantum Chemistry

1972 • 5 citations

Ellipsoidal Gaussian molecular calculations

1974 • 4 citations

Applications of a simple molecular wavefunction. Part 3.—Ethyl and propyl carbonium ions

1974 • 4 citations

Das ?Floating Gaussian Orbital?-Modell als Hilfsmittel zur Interpretation von Photoelektronen-Spektren

1971 • 4 citations

A floating spherical gaussian orbital model of molecular structure. XII. Analysis of energy terms affecting the geometry of the water molecule

1973 • 3 citations

FSGO calculations of octahydrotriborate anion and tetraborane

1974 • 3 citations

ChemInform Abstract: SIMPLE AB INITIO STUDIES OF THE ISOMERS OF N2H2, LI2O, C3H4 AND O3

1975 • 3 citations

FSGO [floating spherical Gaussian orbital] investigations of several conformers of cyclohexane

1975 • 2 citations

FSGO calculations of octahydrotriborate anion and tetraborane

1974 • 2 citations

Das Wassermolekül nach dem SCF-MO-P(LCGO)-Verfahren

1971 • 1 citations