Volume 53, Issue 3 | Theoretical Chemistry Accounts

Theoretical Chemistry Accounts

Theory, Computation, and Modeling

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Volume 53, Issue 3

September 1979

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7 articles in this issue

Collisionally damped ion motion in ICR spectrometry
Hermann Hartmann
Kyu-Myung Chung
Jürgen Radtke
Original Investigations Pages: 203 - 214
An approximate expression of the electrostatic molecular potential for benzenic compounds
Alessandro Agresti
Rosanna Bonaccorsi
Jacopo Tomasi
Original Investigations Pages: 215 - 220
Two-photon spectroscopy of dipole-forbidden transitions
Bernhard Dick
Georg Hohlneicher
Original Investigations Pages: 221 - 251
Variable metric optimization of molecular geometry in electronically excited states
Jaroslav Leška
Pavol Zahradník
Darina Ondrejičková
Original Investigations Pages: 253 - 268
On the fragmentation modes in PMO analyses
Fernando Bernardi
Andrea Bottoni
Nicolaos D. Epiotis
Original Investigations Pages: 269 - 278
Invariance criteria and symmetry conservation rules for geometry optimizations
Peter Scharfenberg
Original Investigations Pages: 279 - 292
NDDO MO Calculations
Jeyaraman Chandrasekhar
Prem Kishore Mehrotra
Periakaruppan T. Manoharan
Short Communication Pages: 293 - 296