Semiempirical valence-electron calculations of excited state geometries and vibrational frequencies
- 1 January 1991
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 80 (1) , 1-17
- https://doi.org/10.1007/bf01114748
Abstract
No abstract availableKeywords
This publication has 49 references indexed in Scilit:
- Geometry optimization in semiempirical SCF-MO-CI calculationsJournal of Computational Chemistry, 1991
- MNDOC‐CI calculations for organic photoreactions. I. The α‐cleavage reaction of carbonyl compoundsJournal of Physical Organic Chemistry, 1990
- The reaction C3H3+ + acetylene and the structural isomers of C5H5+Journal of the American Chemical Society, 1989
- Ab initio studies of the ground-state potential energy surface of formamideJournal of Computational Chemistry, 1988
- Theoretical study of the U.V. spectrum of acetyleneMolecular Physics, 1987
- A theoretical study of the photochemical α-cleavage processes in symmetric and non-symmetric ketonesJournal of Photochemistry and Photobiology A: Chemistry, 1987
- MNDOC-Berechnung der Potentialhyperflächen für die photochemische α-SpaltungAngewandte Chemie, 1987
- SINDO1 study of the photoisomerization of 2-methylfuran to 3-methylfuranJournal of the American Chemical Society, 1987
- Ground states of molecules. 37. MINDO/3 calculations of molecular vibration frequenciesJournal of the American Chemical Society, 1977
- A new approach to variable metric algorithmsThe Computer Journal, 1970