共 14 条
- [1] AB-INITIO MOLECULAR ORBITAL CALCULATIONS OF GROUND AND EXCITED STATES OF PERMANGANATE AND CHROMATE IONSPROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1970, 320 (1541): : 161 - &HILLIER, IHSAUNDERS, VR
- [2] AB-INITIO MOLECULAR-ORBITAL THEORY OF X-RAY-ABSORPTION SPECTRA OF SIMPLE MOLECULES AND TRANSITION-METAL COMPLEXESJAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, 1993, 32 : 13 - 17KOSUGI, N
- [5] BONDING OF IONS PO43-, SO42-, CLO4-, CLO3- AND CO32- AS STUDIED BY X-RAY SPECTROSCOPY AND AB-INITIO SCF-MO CALCULATIONSMOLECULAR PHYSICS, 1972, 23 (01) : 81 - +CONNOR, JABARBER, MSAUNDERS, VRHILLIER, IH
- [6] ELECTRONIC-STRUCTURE OF TRANSITION-METAL COMPLEXES CONTAINING ORGANIC LIGANDS .3. LOW-ENERGY PHOTOELECTRON-SPECTRA AND AB-INITIO SCF-MO CALCULATIONS OF IRON TRICARBONYL CYCLOBUTADIENEMOLECULAR PHYSICS, 1975, 30 (03) : 839 - 848HALL, MBHILLIER, IHCONNOR, JAGUEST, MFLLOYD, DR
- [8] Ab Initio Calculations of X-ray Spectra: Atomic Multiplet and Molecular Orbital Effects in a Multiconfigurational SCF Approach to the L-Edge Spectra of Transition Metal ComplexesJOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2012, 3 (23): : 3565 - 3570Josefsson, IdaKunnus, KristjanSchreck, SimonFoehlisch, Alexanderde Groot, FrankWernet, PhilippeOdelius, Michael
- [9] ELECTRONIC-STRUCTURE OF TRANSITION-METAL COMPLEXES CONTAINING ORGANIC LIGANDS .1. LOW AND HIGH-ENERGY PHOTOELECTRON-SPECTRA AND AB-INITIO SCF-MO CALCULATIONS OF IRON TRICARBONYL BUTADIENEMOLECULAR PHYSICS, 1974, 28 (05) : 1193 - 1205CONNOR, JADERRICK, LMRHALL, MBHILLIER, IHGUEST, MFHIGGINSO.BRLLOYD, DR
- [10] ELECTRONIC-STRUCTURE OF TRANSITION-METAL COMPLEXES CONTAINING ORGANIC LIGANDS .4. LOW AND HIGH-ENERGY PHOTOELECTRON-SPECTRA AND AB-INITIO SCF-MO CALCULATIONS OF IRON TRICARBONYL TRIMETHYLENEMETHANEMOLECULAR PHYSICS, 1976, 31 (01) : 23 - 32CONNOR, JADERRICK, LMRHILLIER, IHGUEST, MFLLOYD, DR