Volume 73, Issue 4 | Theoretical Chemistry Accounts

Theoretical Chemistry Accounts

Theory, Computation, and Modeling

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Volume 73, Issue 4

April 1988

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5 articles in this issue

Permutation representations in molecular symmetry
Gerhard Fieck
OriginalPaper Pages: 247 - 277
Ab initia MO calculation in terms of localized orbitals of the ¹⁴N electric field gradient in nitriles
Yosslen Aray
Roberto Gomperts
Juan Murgich
OriginalPaper Pages: 279 - 289
On expectation value calculations of one-electron properties using the coupled cluster wave functions
Jozef Noga
Miroslav Urban
OriginalPaper Pages: 291 - 306
Counterpoise estimates of the BSSE in the evaluation of protonation energies
Otilia Mó
José Luis G. de Paz
Manuel Yáñez
OriginalPaper Pages: 307 - 316
Systematic regularities of molecular SCF energies
Evi Honegger
OriginalPaper Pages: 317 - 322