Help

Brabec Jiří

ASEP Publications

Select all / Display all years / Unmark

Select all / Display all / Unmark

Records found: 7

0488456 - ÚFCH JH 2019 RIV US eng J - Journal Article
Brabec, Jiří - Lang, Jakub - Saitow, M. - Pittner, Jiří - Neese, F. - Demel, Ondřej
Domain-Based Local Pair Natural Orbital Version of Mukherjee’s State-Specific Coupled Cluster Method.
Journal of Chemical Theory and Computation. Roč. 14, č. 3 (2018), s. 1370-1382. ISSN 1549-9618
R&D Projects: GA ČR GJ15-00058Y
Ga MŠk(CZ) LM2015070
Institutional Support: RVO:61388955
Keywords: MULTIREFERENCE PERTURBATION-THEORY * SINGLE-REFERENCE FORMALISM * ELECTRON CORRELATION METHODS
Subject RIV: CF - Physical & Theoretical Chemistry
Obor OECD: Physical chemistry
Impact factor: 5.313, year: 2018
Demel, Ondřej
Permanent link: http://hdl.handle.net/11104/0283040

0464674 - ÚFCH JH 2017 RIV US eng J - Journal Article
Brabec, Jiří - Banik, Subrata - Kowalski, K. - Pittner, Jiří
Perturbative universal state-selective correction for state-specific multi-reference coupled cluster methods.
Journal of Chemical Physics. Roč. 145, č. 16 (2016), s. 164106. ISSN 0021-9606
R&D Projects: GA MŠk LH13117; GA ČR GAP208/11/2222
GA ČR(CZ) Ga15-00058Y
Institutional Support: RVO:61388955
Keywords: INCOMPLETE MODEL SPACES * BRILLOUIN-WIGNER * HILBERT-SPACE
Subject RIV: CF - Physical & Theoretical Chemistry
Impact factor: 2.965, year: 2016
Permanent link: http://hdl.handle.net/11104/0263479

0473906 - ÚFCH JH 2018 RIV GB eng J - Journal Article
Deblonde, G. J.-P. - Sturzbecher-Hoehne, M. - Rupert, P. B. - An, D. D. - Illy, M.-C. - Ralston, C. Y. - Brabec, Jiří - de Jong, W. A. - Strong, R. K. - Abergel, R. J.
Chelation and stabilization of berkelium in oxidation state +IV.
Nature Chemistry. Roč. 9, č. 9 (2017), s. 843-849. ISSN 1755-4330
Institutional Support: RVO:61388955
Keywords: bioorganic chemistry * chemical bonding * mass spectrometry
Subject RIV: CF - Physical & Theoretical Chemistry
Obor OECD: Physical chemistry
Impact factor: 26.201, year: 2017
Permanent link: http://hdl.handle.net/11104/0271017

0484086 - ÚFCH JH 2018 RIV GB eng J - Journal Article
Lang, Jakub - Švaňa, Matěj - Demel, Ondřej - Brabec, Jiří - Kedžuch, S. - Noga, J. - Kowalski, K. - Pittner, Jiří
A MRCC study of the isomerisation of cyclopropane.
Molecular Physics. Roč. 115, č. 21-22 (2017), s. 2743-2754. ISSN 0026-8976
R&D Projects: GA ČR GJ15-00058Y; GA ČR GA16-12052S
Ga MŠk(CZ) LM2015070
Institutional Support: RVO:61388955
Keywords: Coupled cluster * LPNO, trimethylene * universal state selective * multireference
Subject RIV: CF - Physical & Theoretical Chemistry
Obor OECD: Physical chemistry
Impact factor: 1.704, year: 2017
Permanent link: http://hdl.handle.net/11104/0279280

0431078 - ÚFCH JH 2015 RIV NL eng J - Journal Article
Pederzoli, Marek - Sobek, Lukáš - Brabec, Jiří - Kowalski, K. - Cwiklik, Lukasz - Pittner, Jiří
Fluorescence of PRODAN in water: A computational QM/MM MD study.
Chemical Physics Letters. Roč. 597, MAR 2014 (2014), s. 57-62. ISSN 0009-2614
R&D Projects: GA ČR(CZ) GAP208/12/0559
Institutional Support: RVO:61388955
Keywords: Emission spectroscopy * Excited states * Molecular dynamics
Subject RIV: CF - Physical & Theoretical Chemistry
Impact factor: 1.897, year: 2014
Permanent link: http://hdl.handle.net/11104/0235712

0484081 - ÚFCH JH 2018 US eng J - Journal Article
Veis, Libor - Antalík, Andrej - Brabec, Jiří - Neese, F. - Legeza, Ö. - Pittner, Jiří
Correction to Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions.
Journal of Physical Chemistry Letters. Roč. 8, č. 1 (2017), s. 291-291. ISSN 1948-7185
Institutional Support: RVO:61388955
Keywords: correction * coupled cluster method * Matrix Product State Wave Functions
Subject RIV: CF - Physical & Theoretical Chemistry
Impact factor: 8.709, year: 2017
Permanent link: http://hdl.handle.net/11104/0279277

0472525 - ÚFCH JH 2017 RIV US eng J - Journal Article
Veis, Libor - Antalík, Andrej - Brabec, Jiří - Neese, F. - Legeza, Ö. - Pittner, Jiří
Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions.
Journal of Physical Chemistry Letters. Roč. 7, č. 20 (2016), s. 4072-4078. ISSN 1948-7185
R&D Projects: GA ČR GA16-12052S
Institutional Support: RVO:61388955
Keywords: quantum renormalization-groups * multireference configuration-interaction * perturbation-theory
Subject RIV: CF - Physical & Theoretical Chemistry
Impact factor: 9.353, year: 2016
Permanent link: http://hdl.handle.net/11104/0269819