2012

Augustovičová L., Špirko V., Kraemer W. P., Soldán P.:
Radiative association of LiHe+.
Chemical Physics Letters 531 (59-63): 10.1016/j.cplett.2012.02.038, 2012.

Řezáč J., Riley K. E., Hobza P.:
Evaluation of the performance of post-Hartree-Fock methods in terms of intermolecular distance in noncovalent complexes.
Journal of Computational Chemistry 33 (6): 691-694, 2012.

Kraus M., Pitoňák M., Hobza P., Urban M., Neogrady P.:
Highly correlated calculations using optimized virtual orbital space with controlled accuracy. Application to counterpoise corrected interaction energy calculations.
International Journal of Quantum Chemistry 112 (4): 948-959, 2012.

Řezáč J., Levy B., Demachy I., de la Lande A.:
Robust and Efficient Constrained DFT Molecular Dynamics Approach for Biochemical Modeling.
Journal of Chemical Theory and Computation 8 (2): 418-427, 2012.

Rubeš M., Grajciar L., Bludský O., Wiersum A. D., Llewellyn P. L., Nachtigall P.:
Combined Theoretical and Experimental Investigation of CO Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF.
Chemphyschem 13 (2): 488-495, 2012.

Pytelková J., Lepšík M., Šanda M., Talacko P., Marešová L., Mareš M.:
Enzymatic activity and immunoreactivity of Aca s 4, an alpha-amylase allergen from the storage mite Acarus siro.
bmc Biochemistry 13 (3): , 2012.

Kabeláč M., Kroutil O., Předota M., Lankaš F., Šíp M.:
Influence of a charged graphene surface on the orientation and conformation of covalently attached oligonucleotides: a molecular dynamics study.
Physical Chemistry Chemical Physics 14 (12): 4217-4229, 2012.

Řezáč J., Hobza P.:
Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods.
Journal of Chemical Theory and Computation 8 (1): 141-151, 2012.

Wed May 02 15:59:08 +0200 2012