Search results
- 1.0453279 - ÚOCHB 2016 RIV CH eng M - Monography Chapter
Sedlák, Robert - Fanfrlík, Jindřich - Pecina, Adam - Hnyk, Drahomír - Hobza, Pavel - Lepšík, Martin
Noncovalent Interactions of Heteroboranes.
Boron: The Fifth Element. Cham: Springer International Publishing, 2015 - (Hnyk, D.; McKee, M.), s. 219-239. Challenges and Advances in Computational Chemistry and Physics, 20. ISBN 978-3-319-22281-3
Institutional support: RVO:61388963 ; RVO:61388980
Keywords : sigma-hole bonding * boron clusters * quantum chemistry
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0254176 - 2.0447913 - ÚOCHB 2016 RIV CH eng M - Monography Chapter
Kolář, Michal H. - Deepa, Palanisamy - Ajani, Haresh - Pecina, Adam - Hobza, Pavel
Characteristics of a sigma-Hole and the Nature of a Halogen Bond.
Halogen Bonding II: Impact on Materials Chemistry and Life Sciences. Cham: Springer, 2015 - (Metrangolo, P.; Resnati, G.), s. 1-25. Topics in Current Chemistry, 359. ISBN 978-3-319-15731-3
R&D Projects: GA ČR GBP208/12/G016
Grant - others:GA MŠk(CZ) ED2.1.00/03.0058
Program: ED
Institutional support: RVO:61388963
Keywords : CCSD(T) * DFT-SAPT * dispersion energy * electrostatic potential * halogen bond * noncovalent interactions
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0249669 - 3.0043319 - BFÚ 2007 RIV NL eng M - Monography Chapter
Šponer, Jiří - Jurečka, Petr - Hobza, Pavel
Base stacking and base pairing. Advanced quantum chemical studies.
[Stackování a párování bází. Pokročilé kvantově-chemické studie.]
Molecular dynamics simulations of nucleic acids. MD simulations of G-DNA and functional RNAs. Springer, 2006 - (Šponer, J.; Lankaš, F.), s. 343-388. ISBN 1-4020-4794-0
Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z40550506
Keywords : base pairs * base stacking * quantum chemical calculations
Subject RIV: BO - Biophysics
Permanent Link: http://hdl.handle.net/11104/0136341