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- [33] MCSCF WAVE-FUNCTIONS FOR EXCITED-STATES OF POLAR-MOLECULES - APPLICATION TO BEO JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (02): : 1138 - 1144
- [34] THEORETICAL DESCRIPTION OF TRANS-CIS CONVERSION IN LOWEST EXCITED-STATES OF DIIMIDE - COMPARISON OF DIFFERENT METHODS FOR CALCULATION OF EXCITED-STATE WAVE-FUNCTIONS THEORETICA CHIMICA ACTA, 1977, 46 (03): : 223 - 235
- [35] RELATIVISTIC ALL-ELECTRON AB-INITIO CALCULATIONS OF GROUND AND EXCITED-STATES OF LIHG INCLUDING SPIN-ORBIT EFFECTS JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (11): : 9691 - 9700
- [37] USE OF AB-INITIO G1 EFFECTIVE POTENTIALS FOR CALCULATIONS OF MOLECULAR EXCITED-STATES JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (07): : 3342 - &
- [38] AB-INITIO CALCULATIONS OF SINGLET AND TRIPLET EXCITED-STATES OF CHLORINE NITRATE AND NITRIC-ACID JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (11): : 3493 - 3502
- [40] AB-INITIO MOLECULAR ORBITAL CALCULATIONS OF GROUND AND EXCITED STATES OF PERMANGANATE AND CHROMATE IONS PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1970, 320 (1541): : 161 - &