CCCC > Archive > Keywords > Geometry optimization
- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
Geometry optimization
- Masahiro Ehara* and Hiroshi Nakatsuji*
Geometry Relaxations After Inner-Shell Excitations and Ionizations
2008, Vol. 73, Issue 6-7, pp. 771–785
[Abstract]
- Stanislava Šoralová and Martin Breza*
On the Structure of Tri- and Tetrahydroxolead(II) Complex Anions
2008, Vol. 73, Issue 1, pp. 59–72
[Abstract]
- Hanka Sormova, Roberto Linguerri, Pavel Rosmus*, Jürgen Fabian and Najia Komiha
On the Electronic States of S4+ and S4- Isomers
2007, Vol. 72, Issue 1, pp. 83–99
[Abstract]
- Petr Bouř
Convergence Properties of the Normal Mode Optimization and Its Combination with Molecular Geometry Constraints
2005, Vol. 70, Issue 9, pp. 1315–1340
[Abstract]
- Martin Breza* and Stanislav Biskupič
On the Stability of Hydroxo-Dilead(II) Complex Cations
2003, Vol. 68, Issue 12, pp. 2377–2385
[Abstract]
- Holger Meissner and Josef Paldus
Analytic Energy Derivatives for the Direct Iterative Approach to the Generalized Bloch Equation
2001, Vol. 66, Issue 8, pp. 1164–1190
[Abstract]
