J. M. A. Baas

Delft molecular mechanics: a new approach to hydrocarbon force fields. Inclusion of a geometry-dependent charge calculation

Adri C. T. van Duin, J. M. A. Baas, B. van de Graaf · Journal of the Chemical Society Faraday Transactions · 1994 · 235 citations

Limited double bond isomerisation and selective hydrogenation of sterenes during early diagenesis

J.W. de Leeuw, H.C. Cox, Ger van Graas et al. · Geochimica et Cosmochimica Acta · 1989 · 120 citations

Selective Hydrogenation, Novel Organocatalysts, Engineering +7

Theoretical organic geochemistry. I. The thermodynamic stability of several cholestane isomers calculated by molecular mechanics

Ger van Graas, J. M. A. Baas, B. van de Graaf et al. · Geochimica et Cosmochimica Acta · 1982 · 78 citations

Engineering, Molecular Thermodynamics, Molecular Mechanics +10

A molecular mechanics study on rotational motions of side groups in poly(methyl methacrylate)

J. Heijboer, J. M. A. Baas, B. van de Graaf et al. · Polymer · 1987 · 66 citations

Engineering, Polymer Solution, Molecular Mechanics +11

The Lagrange multiplier method for manipulating geometries. Implementation and applications in molecular mechanics

B. van de Graaf, J. M. A. Baas · Journal of Computational Chemistry · 1984 · 44 citations

Numerical Analysis, Engineering, Computational Chemistry +21