An intermolecular potential function for the methanol dimer from a b i n i t i o calculations

The hydrogen bond

1960 • 3,255 citations

Conformational analysis—CI

1974 • 974 citations

Studies of molecular association in H2O and D2O vapors by measurement of thermal conductivity

1979 • 683 citations

Molecular dynamics of liquid n-butane near its boiling point

1975 • 630 citations

Torsion–Vibration–Rotation Interactions in Methanol. I. Millimeter Wave Spectrum

1968 • 549 citations

Applications of Electronic Structure Theory

1977 • 418 citations

Molecular Dynamics Study of Temperature Effects on Water Structure and Kinetics

1972 • 345 citations

Study of the structure of molecular complexes. IV. The Hartree-Fock potential for the water dimer and its application to the liquid state

1973 • 315 citations

Dispersion energy constantsC₆(A, B), dipole oscillator strength sums and refractivities for Li, N, O, H₂, N₂, O₂, NH₃, H₂O, NO and N₂O

1977 • 314 citations

Study of the structure of molecular complexes. XIII. Monte Carlo simulation of liquid water with a configuration interaction pair potential

1976 • 292 citations

Monte Carlo studies on the structure of a dilute aqueous solution of methane

1978 • 191 citations

Systematic study of the nine hydrogen-bonded dimers involving ammonia, water, and hydrofluoric acid

1975 • 189 citations

Perturbation theory for the thermodynamic properties of simple liquids

1972 • 168 citations

Methyl Alcohol: The Entropy, Heat Capacity and Polymerization Equilibria in the Vapor, and Potential Barrier to Internal Rotation

1951 • 126 citations

Theoretical Study of Open Chain Dimers and Trimers Containing CH₃OH and H₂O

1971 • 113 citations

Molecular orbital studies of methanol polymers using a minimal basis set

1977 • 84 citations

Reinvestigation of the Structures of Ethanol and Methanol at Room Temperature

1967 • 83 citations

An intermolecular pair potential energy function for methane

1976 • 80 citations

Theoretical studies of drug-dinucleotide interactions. Empirical energy function calculations on the interaction of ethidium, 9-aminoacridine, and proflavin cations with the base-paired dinucleotides GpC and CpG

1979 • 77 citations

Basis set dependence of the structure and properties of liquid hydrogen fluoride

1979 • 68 citations

A theoretical study of the structure of liquid water based on quasi-component distribution functions

1977 • 66 citations

Quantum and statistical mechanical studies of liquids. 2. Monte-Carlo simulations of liquid hydrogen fluoride

1978 • 65 citations

A study of hydrogen bonding in methanol vapor by measurement of thermal conductivity

1977 • 62 citations

Quantum and statistical mechanical studies of liquids. 3. Deriving intermolecular potential functions for the water dimer from ab initio calculations

1979 • 62 citations

A revised empirical potential for conformational, intermolecular, and solvation studies. 1. Evaluation of problem and description of model

1978 • 61 citations

Quantum and statistical studies of liquids. 1. An intermolecular potential function for the hydrogen fluoride dimer from ab initio 6-31G computations

1978 • 55 citations

Theoretical observations on the structural consequences of cooperativity in H...O hydrogen bonding

1977 • 51 citations

Fourier Analysis of Liquid Methyl Alcohol

1938 • 46 citations

Hydrogen Bonding and Donor—Acceptor Interactions

1977 • 30 citations

Weak attraction between water and methane

1974 • 30 citations

Medium effects in nuclear magnetic resonance. VII. Vapor phase studies of hydrogen bonding in methanol and methanol–trimethylamine mixtures

1969 • 29 citations

Vapor Pressure of Liquid Methanol at Low Temperatures.

1964 • 8 citations