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Title Accurate noncovalent interaction CCSD(T) calculations of large systems with off-center gaussian basis set functions Par.title Presné CCSD(T) výpočty nekovalentných interakcií veľkých systémov s použitím gridu mimocentrových gaussových funkcií Author info Miroslav Melicherčík ... [et al.] Author Melicherčík Miroslav 1984- (20%) UMBFP05 - Katedra informatiky
Co-authors Pitoňák Michal (20%)
Kellö Vladimír (20%)
Hobza Pavel (20%)
Neogrády Pavel (20%)
Source document CESTC 2014 : Central European symposium on theoretical chemistry : book of abstracts : 21-25 September 2014, Nagybörzsöny, Hungary. S. 55. - Budapešť : Connections 2000 KFT, 2014 ; CESTC 2014 stredoeurópske sympózium Keywords nekovalentné interakcie generovanie gridov funkcie bázy noncovalent interactions basis set functions Language English Country Slovak Republic systematics 004 URL http://www.cestc2014.conn2000.hu/uploads/CESTC%20Book%20of%20Abstracts_final.pdf Public work category AFG No. of Archival Copy 30890 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ Title CESTC 2014 Subtitle Central European symposium on theoretical chemistry book of abstracts 21-25 September 2014, Nagybörzsöny, Hungary Corporation CESTC 2014 . stredoeurópske sympózium , Nagybörzsöny , 21.-25.09.2014 Issue data Budapešť : Connections 2000 KFT , 2014 Issue 1. vyd. ISBN 978-963-313-132-9 Language English Country Hungary Public work category FAI Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References (4) - PUBLIKAČNÁ ČINNOSŤ Title Relativistic calculations of fine atomic constants Author info Miroslav Iliaš, A. Borschevsky Author Iliaš Miroslav 1975- (80%) UMBFP08 - Katedra chémie
Co-authors Borschevsky Anastasia (20%)
Source document CESTC 2014 : Central European symposium on theoretical chemistry : book of abstracts : 21-25 September 2014, Nagybörzsöny, Hungary. S. 37. - Budapešť : Connections 2000 KFT, 2014 ; CESTC 2014 stredoeurópske sympózium Keywords kvantovochemické metódy atómové konštanty atomic constants Language English Country Hungary systematics 54 Annotation It is known that nuclear-spin-dependent (NSD) parity-violating (PV) effects can be strongly enhanced in diatomic molecules containing heavy atoms. Therefore heavy diatomic molecules are very good candidates for the successful measurement of the nuclear anapole moment, which is the dominant NSD parity violation term in heavy elements. URL http://www.cestc2014.conn2000.hu/uploads/CESTC%20Book%20of%20Abstracts_final.pdf Public work category AFG No. of Archival Copy 32649 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ Title How do dispersion interactions influence electric properties of weakly bound complexes? Author info Miroslav Medveď, Šimon Budzák ... [et al.] Author Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Co-authors Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Laurent Adéle D. (25%)
Jacquemin Denis (25%)
Source document CESTC 2014 : Central European symposium on theoretical chemistry : book of abstracts : 21-25 September 2014, Nagybörzsöny, Hungary. S. 53. - Budapešť : Connections 2000 KFT, 2014 ; CESTC 2014 stredoeurópske sympózium Keywords intermolecular interactions kvantová chémia - quantum chemistry Language English Country Hungary systematics 54 URL http://www.cestc2014.conn2000.hu/uploads/CESTC%20Book%20of%20Abstracts_final.pdf Public work category AFG No. of Archival Copy 32650 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ Title Solvents effect on excited-state polarizabilities with the corrected linear-response model Author info Šimon Budzák, Miroslav Medveď, Benedetta Mennucci, Denis Jacquemin Author Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Co-authors Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Mennucci Benedetta (25%)
Jacquemin Denis (25%)
Source document CESTC 2014 : Central European symposium on theoretical chemistry : book of abstracts : 21-25 September 2014, Nagybörzsöny, Hungary. S. 54. - Budapešť : Connections 2000 KFT, 2014 ; CESTC 2014 stredoeurópske sympózium Keywords efekt rozpúšťadla excitované stavy polarizovateľnosť modely lineárnej odozvy - linear response models Language English Country Hungary systematics 54 Public work category AFG No. of Archival Copy 33066 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ