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ORCIDPetr Bour
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2010 – 2019
- 2015
[j12]Petr Stepánek
, Petr Bour:
Origin-independent sum over states simulations of magnetic and electronic circular dichroism spectra via the localized orbital/local origin method. J. Comput. Chem. 36(10): 723-730 (2015)- 2014
- [j11]Jirí Kessler, Petr Bour:
Molecular dynamics with helical periodic boundary conditions. J. Comput. Chem. 35(21): 1552-1559 (2014) - 2013
- [j10]Jirí Kessler, Martin Dracínský, Petr Bour:
Parallel variable selection of molecular dynamics clusters as a tool for calculation of spectroscopic properties. J. Comput. Chem. 34(5): 366-371 (2013) - [j9]Petr Stepánek, Petr Bour:
Computation of magnetic circular dichroism by sum-over-states summations. J. Comput. Chem. 34(18): 1531-1539 (2013) - [j8]Shigeki Yamamoto, Petr Bour:
Transition polarizability model of induced resonance Raman optical activity. J. Comput. Chem. 34(25): 2152-2158 (2013) - 2012
- [j7]Martin Dracínský, Petr Bour:
Vibrational averaging of the chemical shift in crystalline α-glycine. J. Comput. Chem. 33(10): 1080-1089 (2012) - [j6]Jirí Kessler, Milan Jakubek, Bohumil Dolenský, Petr Bour:
Binding energies of five molecular pincers calculated by explicit and implicit solvent models. J. Comput. Chem. 33(29): 2310-2317 (2012) - 2010
- [j5]Jakub Kaminský, Ivan Raich, Katerina Tomcáková, Petr Bour:
Conformational behavior of simple furanosides studied by optical rotation. J. Comput. Chem. 31(11): 2213-2224 (2010)
2000 – 2009
- 2009
- [j4]Jakub Kaminský, Jirí Sebek, Petr Bour:
Molecular dynamics with restrictions derived from optical spectra. J. Comput. Chem. 30(6): 983-991 (2009) - 2008
- [j3]Valery Andrushchenko, Petr Bour:
Circular dichroism enhancement in large DNA aggregates simulated by a generalized oscillator model. J. Comput. Chem. 29(16): 2693-2703 (2008) - 2007
- [j2]Petr Danecek, Petr Bour:
Comparison of the numerical stability of methods for anharmonic calculations of vibrational molecular energies. J. Comput. Chem. 28(10): 1617-1624 (2007)
1990 – 1999
- 1997
- [j1]Petr Bour, Jana Sopková, Lucie Bednárová, Petr Malon, Timothy A. Keiderling:
Transfer of molecular property tensors in cartesian coordinates: A new algorithm for simulation of vibrational spectra. J. Comput. Chem. 18(5): 646-659 (1997)
Coauthor Index
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