Volume 41, Issue 3 | Theoretical Chemistry Accounts

Theoretical Chemistry Accounts

Theory, Computation, and Modeling

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Volume 41, Issue 3

September 1976

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9 articles in this issue

Some theoretical aspects of vibrational fine structure accompanying core ionizations in N₂ and CO
David T. Clark
Jiri Muller
Original Investigations Pages: 193 - 215
Direct calculation of the energy gradient with cartesian Gaussian basis sets
Hanspeter Huber
Petr Čársky
Rudolf Zahradník
Original Investigations Pages: 217 - 221
Electronic and magnetic structure of the polymeric system di-imidazolato iron(II)
Hans -E. Marcolin
Alfred Trautwein
Peter Wende
Original Investigations Pages: 223 - 232
Electronic and magnetic structure of the polymeric system di-imidazolato iron(II)
Alfred Trautwein
Yutaka Maeda
Peter Wende
Original Investigations Pages: 233 - 241
NDDO MO calculations
Jayaraman Chandrasekhar
Prem K. Mehrotra
Periakaruppan T. Manoharan
Original Investigations Pages: 243 - 256
NDDO MO calculations
Prem K. Mehrotra
Jayaraman Chandrasekhar
Sankaran Subramanian
Original Investigations Pages: 257 - 262
Note on nuclear spin-spin coupling in HD
W. Sänger
J. Voitländer
Notes Pages: 263 - 264
Book reviews
Ralph G. Pearson
F Becker
BookReview Pages: 265 - 265
Book reviews
Ralph G. Pearson
F Becker
BookReview Pages: 267 - 268