Perturbative ab initio calculations of intermolecular energies. III. The water dimer

Molecular Orbital Studies of Hydrogen Bonds. III. C=O···H–O Hydrogen Bond in H2CO···H2O and H2CO···2H2O

1971 • 1,791 citations

Water A Comprehensive Treatise

1975 • 1,331 citations

Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth-order wavefunctions

1973 • 1,200 citations

Theory of the hydrogen bond

1972 • 693 citations

Water Molecule Interactions

1970 • 620 citations

Theory of Molecular Interactions. I. Molecular Orbital Studies of Water Polymers Using a Minimal Slater-Type Basis

1970 • 384 citations

Molecular-Orbital Studies of Hydrogen Bonds. An Ab Initio Calculation for Dimeric H2O

1968 • 243 citations

Study of the Electronic Structure of Molecules. II. Wavefunctions for the NH3+HCl→NH4Cl Reaction

1967 • 234 citations

A non-empirical study of the hydrogen bond between peptide units

1970 • 215 citations

Theory of the Hydrogen Bond: Electronic Structure and Properties of the Water Dimer

1969 • 189 citations

Near Hartree-Fock Calculations on the Ground State of the Water Molecule: Energies, Ionization Potentials, Geometry, Force Constants, and One-Electron Properties

1972 • 145 citations

Ab InitioCalculation of the Helium-Helium<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>Σ</mml:mi></mml:mrow><mml:mrow><mml:mi>g</mml:mi></mml:mrow><mml:mrow /><mml:mrow /><mml:mrow><mml:mo>+</mml:mo></mml:mrow><mml:mprescripts /><mml:mrow /><mml:mrow><mml:mn>1</mml:mn></mml:mrow><mml:mrow /><mml:mrow /></mml:mmultiscripts></mml:mrow></mml:math>Potential at Intermediate and Large Separations

1970 • 145 citations

Perturbative ab initio calculations of intermolecular energies. I. Method

1974 • 142 citations

SCF-MO-LCGO studies on hydrogen bonding. The water dimer

1971 • 138 citations

Molecular Orbital Studies of Hydrogen Bonds: Dimeric H2O with the Slater Minimal Basis Set

1970 • 131 citations

Intermolecular energies of small water polymers

1969 • 115 citations

Calculation of the Attractive He Pair Potential

1970 • 114 citations

Effect of Overlap on Dispersion Energies near the van der Waals Minimum

1968 • 105 citations

An SCF partitioning scheme for the hydrogen bond

1970 • 89 citations

Hydrogen-bond energy nonadditivity in water

1970 • 85 citations

SCF MO LCGO studies on hydrogen bondng. The water dimer

1969 • 63 citations

Iterative calculation by perturbation of the configuration interaction for fundamental state and first excited states of MgO

1972 • 60 citations

Perturbative ab initio calculations of intermolecular energies. II. The He ··· He problem

1974 • 59 citations

The He-He potential energy in the region of the van der Waals minimum

1967 • 51 citations

The calculation of dispersion energies by the variation method

1969 • 35 citations

Interaction Potential between Ground State Helium Atom and the B 1Σu+ State of the Hydrogen Molecule

1972 • 30 citations

Effect of Lone-Pair Hybridization on the Stability of Weak Hydrogen Bonds

1968 • 28 citations