Jaroslav Granatier

发表

Coupled Cluster Calculations: Ovos as an Alternative Avenue Towards Treating Still Larger Molecules

M. Urban, P. Neogrády, M. Pitoňák, 2010 .

Interaction of Graphene and Arenes with Noble Metals

M. Otyepka, R. Zbořil, P. Hobza, 2012 .

Quantification of the interaction forces between metals and graphene by quantum chemical calculations and dynamic force measurements under ambient conditions.

F. Besenbacher, M. Dong, M. Otyepka, 2013, ACS nano.

Spin-Crossing in an Organometallic Pt-Benzene Complex.

M. Dubecký, M. Otyepka, P. Hobza, 2013, Journal of chemical theory and computation.

The nature of bonding and electronic properties of graphene and benzene with iridium adatoms.

J. Klimeš, M. Otyepka, P. Hobza, 2014, Physical chemistry chemical physics : PCCP.

‘Relativistic bond’ in complexes of Cu, Ag, and Au elements with phosphine

M. Urban, A. J. Sadlej, Jaroslav Granatier, 2010 .

Accuracy of Several Wave Function and Density Functional Theory Methods for Description of Noncovalent Interaction of Saturated and Unsaturated Hydrocarbon Dimers.

Pavel Hobza, Michal Pitoňák, P. Hobza, 2012, Journal of chemical theory and computation.

On the reliability of the corrected semiempirical quantum chemical method (PM6-DH2) for assigning the protonation states in HIV-1 protease/inhibitor complexes

P. Hobza, J. Řezáč, M. Lepšík, 2011 .

The Nature of the Binding of Au, Ag, and Pd to Benzene, Coronene, and Graphene: From Benchmark CCSD(T) Calculations to Plane-Wave DFT Calculations

Michal Otyepka, Pavel Hobza, Petr Lazar, 2011, Journal of chemical theory and computation.

Quantification of the interaction forces between metals and graphene by quantum chemical calculations and dynamic force measurements under ambient conditions.

F. Besenbacher, M. Dong, M. Otyepka, 2013, ACS Nano.