Three-body effects on molecular properties in the water trimer

Vibrational spectra and structure.

1972 • 2,276 citations

Interaction of the van der Waals Type Between Three Atoms

1943 • 1,601 citations

The symmetry groups of non-rigid molecules

1963 • 1,037 citations

A random-walk simulation of the Schrödinger equation: H+3

1975 • 904 citations

Ab initio studies of cyclic water clusters (H2O)n, n=1–6. I. Optimal structures and vibrational spectra

1993 • 805 citations

Ab initio studies of cyclic water clusters (H2O)n, n=1–6. II. Analysis of many-body interactions

1994 • 684 citations

Quantum chemistry by random walk. H 2P, H+3 D3h 1A′1, H2 3Σ+u, H4 1Σ+g, Be 1S

1976 • 536 citations

A diffusion Monte Carlo algorithm with very small time-step errors

1993 • 505 citations

Measurement of Quantum Tunneling Between Chiral Isomers of the Cyclic Water Trimer

1992 • 410 citations

Ab initio studies of cyclic water clusters (H₂O)_n, n=1–6. III. Comparison of density functional with MP2 results

1995 • 391 citations

Classification of Rotational Energy Levels for Symmetric-Top Molecules

1962 • 376 citations

Cooperative (nonpairwise) effects in water trimers: An ab initio molecular orbital study

1992 • 373 citations

Many-Body Effects in Intermolecular Forces

1994 • 351 citations

Potential energy surfaces, quasiadiabatic channels, rovibrational spectra, and intramolecular dynamics of (HF)2 and its isotopomers from quantum Monte Carlo calculations

1991 • 285 citations

Towards an accurate intermolecular potential for water

1992 • 268 citations

Quantum Monte Carlo studies of vibrational states in molecules and clusters

1991 • 256 citations

Transition structures for the interchange of hydrogen atoms within the water dimer

1990 • 241 citations

Treatment of rigid bodies by diffusion Monte Carlo: Application to the para-H2⋅⋅⋅H2O and ortho-H2⋅⋅⋅H2O clusters

1992 • 192 citations

Vibrational dependence of the anisotropic intermolecular potential of argon-hydrogen chloride

1992 • 189 citations

Dynamics of Structural Rearrangements in the Water Trimer

1994 • 185 citations

AB Initio Studies of Hydrogen Bonds: The Water Dimer Paradigm

1994 • 177 citations

Molecular Interactions and Hydrogen Bond Tunneling Dynamics: Some New Perspectives

1993 • 173 citations

Classification of Rotational Energy Levels. II

1963 • 171 citations

Detailed Study of the Water Trimer Potential Energy Surface

1995 • 161 citations

Energy of a Boson Fluid with Lennard-Jones Potentials

1970 • 155 citations

Calculations of the tunneling splittings in water dimer and trimer using diffusion Monte Carlo

1995 • 153 citations

A b i n i t i o study of intermolecular potential of H2O trimer

1991 • 148 citations

Fluxionality and low-lying transition structures of the water trimer

1993 • 139 citations

Quantum chemistry by random walk: Higher accuracy

1980 • 133 citations

Correlated van der Waals coefficients. II. Dimers consisting of CO, HF, H2O, and NH3

1989 • 112 citations

Measurement of the ν8 intermolecular vibration of (D2O)2 by tunable far infrared laser spectroscopy

1992 • 107 citations

Nonadditive intermolecular forces from the spectroscopy of van der Waals trimers: Calculations on Ar2–HCl

1993 • 100 citations

Vibrational and K′a dependencies of the multidimensional tunneling dynamics in the 82.6 cm−1 intermolecular vibration of the water dimer-d4

1993 • 97 citations

Fixed-node quantum Monte Carlo

1995 • 93 citations

Ab initio calculations on the geometry and OH vibrational frequency shift of cyclic water trimer

1993 • 89 citations

Diffusion Monte Carlo simulations of hydrogen fluoride dimers

1990 • 85 citations

Triple-dipole energies for H, He, Li, N, O, H₂, N₂, O₂, NO, N₂O, H₂O, NH₃and CH₄evaluated using pseudo-spectral dipole oscillator strength distributions

1978 • 83 citations

Calculation of the intermolecular bound states for water dimer

1994 • 81 citations

Pseudorotation in the D2O trimer

1994 • 79 citations

Quantum simulation of systems with nodal surfaces

1986 • 66 citations

High-resolution infrared spectroscopy of DF trimer: A cyclic ground state structure and DF stretch induced intramolecular vibrational coupling

1993 • 65 citations

A comparison of conventional and rigid body diffusion Monte Carlo techniques. Application to water dimer

1994 • 65 citations

Potential surfaces and dynamic of weakly bound trimers: perspectives from high resolution IR spectroscopy

1995 • 59 citations

Vibrational dynamics of (HF)n aggregates from an ab initio based analytical (1+2+3)-body potential

1993 • 59 citations

The induction energy of an assembly of polarizable molecules

1989 • 58 citations

The differential Green's function Monte Carlo method. The dipole moment of LiH

1985 • 58 citations

Non-additive intermolecular forces from the spectroscopy of van der Waals trimers: far-infrared spectra and calculations on Ar₂-DCl

1994 • 49 citations

A new method for calculating the rovibrational states of polyatomics with application to water dimer

1995 • 42 citations

Quantum Monte Carlo simulation of molecular vibrations

1994 • 36 citations