keywords
- 0306 Physical Chemistry (incl. Structural), 0307 Theoretical and Computational Chemistry
International Journal of Quantum Chemistry
Journal
Research
Other
publication venue for
- Conical intersection structure and dynamics for a model protonated schiff base photoisomerization in solution 2013
- MCD of non-aromatic cyclic pi-electron systems. Part 6: Pentalenes and heptalenes 2005
- Probability from chaos 2004
- Theoretical studies of heterogeneous reaction mechanisms relevant for stratospheric ozone depletion 1999
- Quantum confinement induced collapse of a large to a small radius self-trapped exciton in a permethylated polysilane chain 1999
- CUBIC-GRID GAUSSIAN-BASIS SETS FOR ELECTRON-SCATTERING CALCULATIONS .1. DEFINITION AND CONSTRUCTION 1995
- CUBIC-GRID GAUSSIAN-BASIS SETS FOR ELECTRON-SCATTERING CALCULATIONS .2. MATRIX-ELEMENTS 1995
- CUBIC-GRID GAUSSIAN-BASIS SETS FOR ELECTRON-SCATTERING CALCULATIONS .3. EFFECT OF BASIS-SET TRANSLATION AND SIZE ON THE CALCULATED CROSS-SECTION 1995
- AG VIBRATIONAL LEVELS OF CYCLOBUTADIENE ON A NEW POTENTIAL-ENERGY SURFACE 1991
- EQUILIBRIUM AND NONEQUILIBRIUM SOLVATION AND SOLUTE ELECTRONIC-STRUCTURE 1990
- ANALYSIS OF THE IGLO BOND CONTRIBUTIONS TO THE C-13 SHIELDING TENSORS IN THE LOCAL BOND FRAME 1987
- SYMMETRY EFFECTS IN THE ELECTRONIC-SPECTRUM OF AMMONIA AT LOW-TEMPERATURE 1987
- TERNARY SEMICONDUCTORS AND ORDERED PSEUDOBINARY ALLOYS - ELECTRONIC-STRUCTURE AND PREDICTIONS OF NEW MATERIALS 1985
- OPTICAL SPECTROSCOPY ON PARTIALLY ORIENTED SAMPLES 1983
- LOCAL MODE ENERGY-TRANSFER - EBB AND FLOW 1982
- SEMI-EMPIRICAL PI-ELECTRON MODELS FOR THE CALCULATION OF MCD B-TERMS FOR SYSTEMS WITH APPROXIMATE ALTERNANT PAIRING SYMMETRY - MCD OF BIPHENYLENE 1978
- LOCAL DENSITY FORMALISM APPROACH TO COHESIVE PROPERTIES OF SOLIDS - DIAMOND, BN, AND LIF 1977
- COMBINED FOURIER-TRANSFORM AND DISCRETE VARIATIONAL METHOD APPROACH TO SELF-CONSISTENT SOLUTION OF ELECTRONIC BAND-STRUCTURE PROBLEM WITHIN LOCAL DENSITY FORMALISM 1976
- PI-ELECTRON SYSTEM - RECENT DEVELOPMENTS IN ELECTRONIC SPECTROSCOPY AND PPP MODEL 1976