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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
National licenceTaylor & Francis Verlag | 1970| -
A molecular dynamics method for simulations in the canonical ensemble†
National licenceTaylor & Francis Verlag | 1984| -
Self-consistent perturbation theory of diamagnetism
National licenceTaylor & Francis Verlag | 1974| -
Spin-orbit matrix elements for internally contracted multireference configuration interaction wavefunctions
National licenceTaylor & Francis Verlag | 2000| -
Constant pressure molecular dynamics for molecular systems†
National licenceTaylor & Francis Verlag | 1983| -
Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules
National licenceTaylor & Francis Verlag | 1969| -
The energy gap law for radiationless transitions in large molecules
National licenceTaylor & Francis Verlag | 1970| -
Accuracy of AHn equilibrium geometries by single determinant molecular orbital theory
National licenceTaylor & Francis Verlag | 1974| -
Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble
National licenceTaylor & Francis Verlag | 1987| -
Explicit reversible integrators for extended systems dynamics
National licenceTaylor & Francis Verlag | 1996| -
Algorithms for macromolecular dynamics and constraint dynamics
National licenceTaylor & Francis Verlag | 1977| -
Elucidation of cross relaxation in liquids by two-dimensional N.M.R. spectroscopy
National licenceTaylor & Francis Verlag | 1980| -
A general unified approach to modelling switching-converter power stages
National licenceTaylor & Francis Verlag | 1977| -
Perturbation theory of the non-linear optical polarization of an isolated system†
National licenceTaylor & Francis Verlag | 1971| -
Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds?
National licenceTaylor & Francis Verlag | 1999| -
A practical and theoretical guide to measurement invariance in aging research
National licenceTaylor & Francis Verlag | 1992| -
Phase equilibria by simulation in the Gibbs ensemble
National licenceTaylor & Francis Verlag | 1988| -
An analytic structure factor for macroion solutions
National licenceTaylor & Francis Verlag | 1981|
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