Ad van der Avoird

Predictions of the Properties of Water from First Principles

Robert Bukowski, Krzysztof Szalewicz, Gerrit C. Groenenboom et al. · Science · 2007 · 430 citations

Engineering, Force Field, Physics +15

Density functional calculations of molecular hyperfine interactions in the zero order regular approximation for relativistic effects

Erik van Lenthe, Ad van der Avoird, Paul E. S. Wormer · The Journal of Chemical Physics · 1998 · 344 citations

Engineering, Magnetic Resonance, Molecular Hyperfine Interactions +18

Density functional calculations of molecular g-tensors in the zero-order regular approximation for relativistic effects

Erik van Lenthe, Paul E. S. Wormer, Ad van der Avoird · The Journal of Chemical Physics · 1997 · 294 citations

Engineering, Magnetic Resonance, Computational Chemistry +18

N2–N2 interaction potential from <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> calculations, with application to the structure of (N2)2

R. M. Berns, Ad van der Avoird · The Journal of Chemical Physics · 1980 · 249 citations

Engineering, Physics, Exchange Contributions +13

Quantum dynamics of non-rigid systems comprising two polyatomic fragments

Geert Brocks, Ad van der Avoird, Brian T. Sutcliffe et al. · Molecular Physics · 1983 · 209 citations

Quantum Dynamic, Quantum Science, Hamiltonian Theory +15