Volume 29, Issue 1 | Theoretical Chemistry Accounts

Theoretical Chemistry Accounts

Theory, Computation, and Modeling

Publishing model:: Hybrid

Submit your manuscript

Search all Theoretical Chemistry Accounts articles

Volume 29, Issue 1

March 1973

Filter by

Volume:

Sort by

Date published:

New to old Old to new

9 articles in this issue

Theoretical investigation of the carbon nitrogen double bond
R. Macaulay
L. A. Burnelle
C. Sandorfy
Commentationes Pages: 1 - 7
Effects of polarization on charge distributions and integral approximations
Karl Jug
Commentationes Pages: 9 - 20
Study of reaction mechanisms by semiempirical methods I
J. PancíŘ
Commentationes Pages: 21 - 28
Density localization of atomic and molecular orbitals
W. von Niessen
Commentationes Pages: 29 - 48
Corrélation électronique et effets de base dans l'étude de la liaison hydrogène: le dimère mixte ammoniac-eau
Annie Meunier
Bernard Lévy
Gaston Berthier
Commentationes Pages: 49 - 55
Ab initio-Behandlung der IR- und RamanaktivitÄt der Wasserstoffbrücke (ClHCl)⁻ unter Berücksichtigung der Umgebung
R. Janoschek
Commentationes Pages: 57 - 74
Local orbitals for bonding in ethane
John L. Nelson
Arthur A. Frost
Commentationes Pages: 75 - 83
Atomic wave functions by rotational projections of floating orbitals
G. L. Bendazzoli
F. Bernardi
P. Palmieri
Commentationes Pages: 85 - 91
Theoretical investigations on the solvation process
Giuliano Alagona
Renzo Cimiraglia
Ugo Lamanna
Relatio Pages: 93 - 96