Search results
- 1.0505693 - ÚFCH JH 2020 RIV US eng J - Journal Article
Brandejs, Jan - Veis, Libor - Szalay, S. - Barcza, G. - Pittner, Jiří - Legeza, Ö.
Quantum information-based analysis of electron-deficient bonds.
Journal of Chemical Physics. Roč. 150, č. 20 (2019), č. článku 204117. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA16-12052S; GA ČR(CZ) GA18-24563S; GA ČR(CZ) GJ18-18940Y; GA MŠMT(CZ) LTAUSA17033
Grant - others:AV ČR(CZ) MTA-16-05
Program: Bilaterální spolupráce
Institutional support: RVO:61388955
Keywords : correlation theory * quantum chemistry * electron-deficient bonds
OECD category: Physical chemistry
Impact factor: 2.991, year: 2019
Method of publishing: Open access with time embargo
Permanent Link: http://hdl.handle.net/11104/0297104File Download Size Commentary Version Access 0505693open.pdf 2 7.3 MB green open access Author´s preprint open-access 0505693.pdf 2 2.5 MB Publisher’s postprint open-access - 2.0474774 - ÚFCH JH 2018 RIV GB eng J - Journal Article
Szalay, S. - Barcza, G. - Szilvási, T. - Veis, Libor - Legeza, Ö.
The correlation theory of the chemical bond.
Scientific Reports. Roč. 7, MAY 2017 (2017), č. článku 2237. ISSN 2045-2322. E-ISSN 2045-2322
R&D Projects: GA ČR GA16-12052S
Institutional support: RVO:61388955
Keywords : density matrix * quantum chemistry * theoretical model
OECD category: Physical chemistry
Impact factor: 4.122, year: 2017
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0271726File Download Size Commentary Version Access 0474774.pdf 1 2 MB open access Publisher’s postprint open-access - 3.0460632 - ÚFCH JH 2017 RIV GB eng J - Journal Article
Timár, M. - Barcza, G. - Gebhard, F. - Veis, Libor - Legeza, Ö.
Hückel–Hubbard–Ohno modeling of π-bonds in ethene and ethyne with application to trans-polyacetylene.
Physical Chemistry Chemical Physics. Roč. 18, č. 28 (2016), s. 18835-18845. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GA16-12052S; GA ČR(CZ) GJ15-10279Y
Institutional support: RVO:61388955
Keywords : MATRIX RENORMALIZATION-GROUP * initio quantum chemistry * CHARGE REPULSION
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.123, year: 2016
Permanent Link: http://hdl.handle.net/11104/0260645File Download Size Commentary Version Access 0460632.pdf 0 2 MB Publisher’s postprint require