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1.

0334356 - ÚOCHB 2010 RIV US eng J - Journal Article
Szymczak, J. J. - Barbatti, M. - Soo Hoo, J. T. - Adkins, J. A. - Windus, T. L. - Nachtigallová, Dana - Lischka, Hans
Photodynamics simulations of thymine: relaxation into the first excited singlet state.
Journal of Physical Chemistry A. Roč. 113, č. 45 (2009), s. 12686-12693. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512
Grant - others:ANSF(US) OISE-0730114
Institutional research plan: CEZ:AV0Z40550506
Keywords : nucleic acid bases * nonadiabatic dynamics simulations * relaxation mechanism
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.899, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005588

2.

0336603 - ÚOCHB 2010 RIV US eng J - Journal Article
West, A. C. - Kretchmer, J. S. - Sellner, B. - Park, K. - Hase, W. L. - Lischka, Hans - Windus, T. L.
O(3P) + C2H4 Potential Energy Surface: Study at the Multireference Level.
Journal of Physical Chemistry A. Roč. 113, č. 45 (2009), s. 12663-12674. ISSN 1089-5639. E-ISSN 1520-5215
Institutional research plan: CEZ:AV0Z40550506
Keywords : hydrogen combustion * multireference methods * O(3P)+C2H4 reaction
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.899, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005675

3.

0524285 - ÚFCH JH 2021 RIV US eng J - Journal Article
Apra, E. - Bylaska, E. J. - de Jong, W. A. - Govind, N. - Kowalski, K. - Straatsma, T. P. - Valiev, M. - van Dam, H. J. J. - Alexeev, Y. - Anchell, J. - Anisimov, V. - Aquino, F. W. - Atta-Fyn, R. - Autschbach, J. - Bauman, N. P. - Becca, J. C. - Bernholdt, D. E. - Bhaskaran-Neir, K. - Bogatko, S. - Borowski, P. - Boschen, J. - Brabec, Jiří - Bruner, A. - Cauët, E. - Chen, Y. - Chuev, G. N. - Cramer, C. J. - Daily, J. - Deegan, M. J. O. - Dunning, Jr., T. H. - Dupuis, M. - Dyall, K. G. - Fann, G. I. - Fischer, S. A. - Fonari, A. - Früchtl, H. - Gagliardi, L. - Garza, J. - Gawande, N. - Ghosh, S. - Glaesemann, K. - Götz, A. W. - Hammond, J. - Helms, V. - Hermes, E. D. - Hirao, K. - Hirata, S. - Jacquelin, M. - Jensen, L. - Johnson, B. G. - Jónsson, H. - Kendall, R. A. - Klemm, M. - Kobayashi, R. - Konkov, V. - Krishnamoorthy, S. - Krishnan, M. - Lin, Z. - Lins, R. D. - Littlefield, R. J. - Logsdail, A. J. - Lopata, K. - Ma, W. - Marenich, A. V. - del Campo, J. M. - Mejía-Rodríguez, D. - Moore, J. E. - Mullin, J. M. - Nakajima, T. - Nascimento, D. R. - Nichols, J. A. - Nichols, J. P. - Nieplocha, J. - Otero-de-la-Roza, A. - Palmer, B. - Panyala, A. - Pirojsirikul, T. - Peng, B. - Peverati, R. - Pittner, Jiří - Pollack, L. - Richard, R. M. - Sadayappan, P. - Schatz, G. C. - Shelton, W. A. - Silverstein, D. W. - Smith, D. M. A. - Soares, T. A. - Song, D. - Swart, M. - Taylor, H. L. - Thomas, G. S. - Tipparaju, V. - Truhlar, D. G. - Tsemekhman, K. - Van Voorhis, T. - Vázguez-Mayagoitia, Á. - Verma, P. - Villa, O. - Vishnu, A. - Vogiatzis, K. D. - Wang, D. - Weare, D. - Williamson, M. J. - Windus, T. L. - Woliński, K. - Wong, A. T. - Wu, Q. - Yang, C. - Zacharias, M. - Zhang, Z. - Zhao, Y. - Harrison, R. J.
NWChem: Past, present, and future.
Journal of Chemical Physics. Roč. 152, č. 18 (2020), č. článku 184102. ISSN 0021-9606. E-ISSN 1089-7690
Institutional support: RVO:61388955
Keywords : Quantum mechanical/molecular mechanical calculations * Excitation energies * Time dependent density functional theory
OECD category: Physical chemistry
Impact factor: 3.488, year: 2020
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0308656

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	0524285.pdf	2	3.5 MB	open access	Publisher’s postprint	open-access

4.

0385121 - ÚJF 2013 RIV US eng J - Journal Article
Adamczyk, L. - Agakishiev, G. - Aggarwal, M. M. - Ahammed, Z. - Alakhverdyants, A. V. - Alekseev, I. - Alford, J. - Anderson, B. D. - Anson, C. - Barnovská, Zuzana - Bielčík, J. - Bielčíková, Jana - Chaloupka, Petr - Chung, Paul - Hajková, O. - Kapitán, Jan - Pachr, M. - Rusňák, Jan - Šumbera, Michal - Tlustý, David … Total 373 authors
Longitudinal and transverse spin asymmetries for inclusive jet production at mid-rapidity in polarized p+p collisions at root s=200 GeV.
Physical Review D: Particles, Fields, Gravitation and Cosmology. Roč. 86, č. 3 (2012), s. 032006. ISSN 1550-7998
R&D Projects: GA MŠMT LA09013
Institutional support: RVO:61389005
Keywords : jet production * hadron production * spin assymmetry
Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders
Impact factor: 4.691, year: 2012
Permanent Link: http://hdl.handle.net/11104/0216920