Volume 61, Issue 5 | Theoretical Chemistry Accounts

Theoretical Chemistry Accounts

Theory, Computation, and Modeling

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Volume 61, Issue 5

September 1982

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6 articles in this issue

The subduction of vibrational states of molecules from the momentum space of simple harmonic motion
Arnout Ceulemans
Bryan R. Hollebone
Original Investigations Pages: 403 - 426
Calculations of induced moments in large molecules I. Polarizabilities and second hyperpolarizabilities in some alkanes
C. A. Nicolaides
M. Papadopoulos
J. Waite
Original Investigations Pages: 427 - 436
Zur Dynamik idealer Speicher. Ein einfaches mathematisches Modell
A. Dress
N. I. Jaeger
P. J. Plath
Original Investigations Pages: 437 - 460
A concise representation of adsorbate-surface interactions. I. Formulation and model calculation for adsorption of Co on Cu(100) surface
Hisayoshi Kobayashi
Masura Yamaguchi
Hiroshi Kato
Original Investigations Pages: 461 - 472
A concise representation of adsorbate-surface interactions. II. An application to Pt(111) + Co, W(110) + Co and Pt(112) + Co systems
Hisayoshi Kobayashi
Masaru Yamaguchi
Satohiro Yoshida
Original Investigations Pages: 473 - 484
Finite-field many-body perturbation theory II. SD-MBPT study of the nuclear charge dependence of the electron correlation contribution to the dipole polarizability of 10-electron atomic systems
Geerd H. F. Diercksen
Andrzej J. Sadlej
Original Investigations Pages: 485 - 504