- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
RNDr. Zdeněk Havlas, DrSc. 60th Birthday
- Christopher L. Moss, Thomas W. Chung, Václav Čeřovský and František Tureček*
Electron transfer dissociation of a melectin peptide: correlating the precursor ion structure with peptide backbone dissociations
2011, Vol. 76, Issue 4, pp. 295–309 [Abstract] - Vladimír Špirko*, Xiangzhu Li and Josef Paldus
Potential energy curve of N2 revisited
2011, Vol. 76, Issue 4, pp. 327–341 [Abstract] - Detlef Schröder
Ion-mobility mass spectrometry of complexes of nickel and acetonitrile
2011, Vol. 76, Issue 5, pp. 351–369 [Abstract] - Lubomír Skála* and Vojtěch Kapsa
Two uncertainty relations
2011, Vol. 76, Issue 5, pp. 399–406 [Abstract] - Adam Pecina, Ondřej Přenosil, Jindřich Fanfrlík, Jan Řezáč, Jaroslav Granatier, Pavel Hobza* and Martin Lepšík*
On the reliability of the corrected semiempirical quantum chemical method (PM6-DH2) for assigning the protonation states in HIV-1 protease/inhibitor complexes
2011, Vol. 76, Issue 5, pp. 457–479 [Abstract] - Xiaoguang Bao, David A. Hrovat and Weston Thatcher Borden*
Cooperative effects in the annelation of benzene by multiple etheno groups
2011, Vol. 76, Issue 5, pp. 481–501 [Abstract] - Tomoo Miyahara and Hiroshi Nakatsuji*
Absorption spectra of nucleic acid bases studied by the symmetry-adapted-cluster configuration-interaction (SAC-CI) method
2011, Vol. 76, Issue 5, pp. 537–552 [Abstract] - Christian Näther* and Inke Jeß
Investigations on the polymorphism and pseudopolymorphism of clobetasone butyrate
2011, Vol. 76, Issue 5, pp. 553–566 [Abstract] - Shigeki Yamamoto and Petr Bouř*
On the limited precision of transfer of molecular optical activity tensors
2011, Vol. 76, Issue 5, pp. 567–583 [Abstract] - Ivan Černušák*, Jozef Federič, Pavel Jungwirth and Milan Uhlár
Effects of micro-hydration in proton transfer from H2S·NO+ complex to water: Ab initio and molecular dynamics study
2011, Vol. 76, Issue 5, pp. 585–603 [Abstract] - Vojtěch Klusák, Petr Dobeš, Jiří Černý and Jiří Vondrášek*
How to fragment a polypeptide? An ab initio computational study of pair interactions between amino acids and ligand-amino acids in proteins
2011, Vol. 76, Issue 5, pp. 605–618 [Abstract] - Shigeyoshi Sakaki*, Daisuke Kawai and Shinya Tsukamoto
Theoretical study of metallasilatranes; Bonding nature and prediction of new metallasilatrane
2011, Vol. 76, Issue 5, pp. 619–629 [Abstract] - Tomáš Zelený, Pavel Hobza, Dana Nachtigallová*, Matthias Ruckenbauer and Hans Lischka*
Photodynamics of the adenine model 4-aminopyrimidine embedded within double strand of DNA
2011, Vol. 76, Issue 6, pp. 631–643 [Abstract] - János Sarka, Attila G. Császár* and Peter R. Schreiner*
Do the mercaptocarbene (H–C–S–H) and selenocarbene (H–C–Se–H) congeners of hydroxycarbene (H–C–O–H) undergo 1,2-H-tunneling?
2011, Vol. 76, Issue 6, pp. 645–667 [Abstract] - Ota Bludský, Petr Nachtigall and Vladimír Špirko*
Vibrational dynamics of adsorbed CO2: Separability of the CO2 asymmetric stretching mode
2011, Vol. 76, Issue 6, pp. 669–682 [Abstract] - Alexis E. Abelow, Ryan J. White, Kevin W. Plaxco* and Ilya Zharov*
Nanoporous silica colloidal films with molecular transport gated by aptamers responsive to small molecules
2011, Vol. 76, Issue 6, pp. 683–694 [Abstract] - Michal Petrov, Lukasz Cwiklik and Pavel Jungwirth*
Interactions of molecular ions with model phospholipid membranes
2011, Vol. 76, Issue 6, pp. 695–711 [Abstract] - 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]
* In paper with more than one author, the asterisk indicates the name of the author to whom correspondence should be addressed.
