CCCC > Archive > Keywords > Electronic structure
- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
Electronic structure
- Michal Pitoňák*, Francesco Aquilante, Pavel Hobza, Pavel Neogrády, Jozef Noga and Miroslav Urban
Parallelized implementation of the CCSD(T) method in MOLCAS using optimized virtual orbitals space and Cholesky decomposed two-electron integrals
2011, Vol. 76, Issue 6, pp. 713–742
[Abstract]
- Masahiro Ehara* and Hiroshi Nakatsuji*
Geometry Relaxations After Inner-Shell Excitations and Ionizations
2008, Vol. 73, Issue 6-7, pp. 771–785
[Abstract]
- Larissa A. Leites*, Elena G. Kononova and Sergey S. Bukalov
Electronic Nature of B-H-B Bridges and Their Manifestation in Vibrational Spectra of 11-Vertex nido-Carbaboranes
2007, Vol. 72, Issue 12, pp. 1659–1675
[Abstract]
- Dimitrios A. Pantazis, Athanassios C. Tsipis and Constantinos A. Tsipis*
Theoretical Study on the Mechanism of Reaction of Ground-State Fe Atoms with Carbon Dioxide
2004, Vol. 69, Issue 1, pp. 13–33
[Abstract]
- Paraskevas Karipidis, Athanassios C. Tsipis and Constantinos A. Tsipis*
Density Functional Study of the Electronic Structure and Related Properties of Pt(NO)/Pt(NO2) Redox Couples
2003, Vol. 68, Issue 3, pp. 423–446
[Abstract]
- Olaf Hübner and Joachim Sauer*
Electronic States of Fe2S-/0/+
2003, Vol. 68, Issue 2, pp. 405–422
[Abstract]
- Drahomír Hnyk*, Václav Všetečka, Ladislav Drož and Otto Exner
Charge Distribution Within 1,2-Dicarba-closo-dodecaborane: Dipole Moments of Its Phenyl Derivatives
2001, Vol. 66, Issue 9, pp. 1375–1379
[Abstract]
- Jana Holubová, Zdeněk Černošek and Ivan Pavlík
Niobocene Dichloride and Niobocene Diiodide: Electronic Absorption Spectra and Electron Spin Resonance
1998, Vol. 63, Issue 5, pp. 628–635
[Abstract]
