Works in Molecular Physics, 2002, Vol 100, Issue 1

Results: 37

Editorial.

Published in:

2002

By:

Mills, Ian

Publication type:

Editorial

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 45, doi. 10.1080/00268970110089090

By:

Mills, Ian

Publication type:

Article

Simplification of the molecular vibration–rotation hamiltonian.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 47, doi. 10.1080/00268970110089081

By:

Watson, James K. G.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 55, doi. 10.1080/00268970110088875

By:

Schaefer III, Henry F.

Publication type:

Article

Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. I. Theory.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 57, doi. 10.1080/00268970110088884

By:

Pulay, P.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 63, doi. 10.1080/00268970110088893

By:

Handy, Nicholas C.

Publication type:

Article

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 65, doi. 10.1080/00268970110088901

By:

Boys, S. F.;
Bernardi, F.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 75, doi. 10.1080/00268970110088910

By:

Schaefer III, Henry F.

Publication type:

Article

The transcorrelated method for accurate correlation energies using gaussian-type functions: examples on He, H[sub 2], LiH and H[sub 2]O.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 77, doi. 10.1080/00268970110088929

By:

Handy, N. C.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 93, doi. 10.1080/00268970110088938

By:

Lynden-Bell, Ruth M.

Publication type:

Article

NpT-ensemble Monte Carlo calculations for binary liquid mixtures.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 95, doi. 10.1080/00268970110088947

By:

McDonald, I. R.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 3, doi. 10.1080/00268970110088668

By:

McLauchlan, K. A.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 107, doi. 10.1080/00268970110088956

By:

Clary, David C.

Publication type:

Article

Statistical theory of angular momentum polarization in chemical reactions.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 109, doi. 10.1080/00268970110088965

By:

Case, D. A.;
Herschbach, D. R.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 127, doi. 10.1080/00268970110089441

By:

Evans, Bob

Publication type:

Article

The Ornstein–Zernike equation for a fluid in contact with a surface.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 129, doi. 10.1080/00268970110089414

By:

Henderson, Douglas;
Abraham, Farid F.;
Barker, John A.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 133, doi. 10.1080/00268970110088974

By:

Bauder, Alfred

Publication type:

Article

Elucidation of cross relaxation in liquids by two-dimensional N.M.R. spectroscopy.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 135, doi. 10.1080/00268970110088983

By:

MacUra, S.;
Ernst, R. R.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 149, doi. 10.1080/00268970110089027

By:

Clary, David C.

Publication type:

Article

Anisotropic intermolecular forces. I. Rare gas–hydrogen chloride systems.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 151, doi. 10.1080/00268970110089036

By:

Hutson, Jeremy M.;
Howard, Brian J.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 165, doi. 10.1080/00268970110089045

By:

Schaefer III, Henry F.

Publication type:

Article

The direct CI method. A detailed analysis.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 167, doi. 10.1080/00268970110089054

By:

Saunders, V. R.;
Van Lenthe, J. H.

Publication type:

Article

Determination of the relative signs of proton spin coupling constants by double irradiation.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 5, doi. 10.1080/00268970110088677

By:

Freeman, R.;
Whiffen, D. H.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 189, doi. 10.1080/00268970110089117

By:

Lynden-Bell, Ruth M.

Publication type:

Article

A molecular dynamics method for simulations in the canonical ensemble.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 191, doi. 10.1080/00268970110089108

By:

Nosé, Shuichi

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 199, doi. 10.1080/00268970110089072

By:

Evans, Bob

Publication type:

Article

The hard ellipsoid-of-revolution fluid I. Monte Carlo simulations.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 201, doi. 10.1080/00268970110088992

By:

Frenkel, D.;
Mulder, B. M.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 219, doi. 10.1080/00268970110089423

By:

Howard, Brian J.

Publication type:

Article

Distributed multipole analysis Methods and applications.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 221, doi. 10.1080/00268970110089432

By:

Stone, A. J.;
Alderton, M.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 235, doi. 10.1080/00268970110089063

By:

Cummings, Peter T.;
Jackson, George

Publication type:

Article

Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 237, doi. 10.1080/00268970110097866

By:

Panagiotopoulos, Athanassios Z.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 9, doi. 10.1080/00268970110088686

By:

Mills, Ian;
Quack, Martin

Publication type:

Article

The symmetry groups of non-rigid molecules.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 11, doi. 10.1080/00268970110088695

By:

Longuet-Higgins, H. C.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 21, doi. 10.1080/00268970110088703

By:

Hansen, Jean-Pierre

Publication type:

Article

A rigid sphere model for the melting of argon.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 23, doi. 10.1080/00268970110088712

By:

Longuet-Higgins, H. C.;
Widom, B.

Publication type:

Article

Comment.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 29, doi. 10.1080/00268970110088721

By:

McLauchlan, K. A.

Publication type:

Article

Optical pumping in an organic crystal: quinoxaline in durene.

Published in:

Molecular Physics, 2002, v. 100, n. 1, p. 31, doi. 10.1080/00268970110088866

By:

De Groot, M. S.;
Hesselmann, I. A. M.;
Schmidt, J.;
Van Der Waals, J. H.

Publication type:

Article