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Pavel Mach

Showing results (1-10 of 18) with videos related to

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Journal of Molecular Modeling|May 9, 2012
Theoretical study of electronic absorptions in aminopyridines - TCNE CT complexes by quantum chemical methods, including solventPavel Mach, György Juhász, Ondrej Kyseľ
Journal of Molecular Modeling|May 13, 2010
Theoretical study of structural changes caused by applying mechanical strain on peptide L24Miroslav Krajčí, Ján Urban, Pavel Mach
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|July 23, 2013
Decafluorocyclohex-1-ene at 4.2 K - crystal structure and theoretical analysis of weak interactionsLubomír Smrčok, Pavel Mach, Armel Le Bail
The Journal of Physical Chemistry. A|January 11, 2018
DFT Modeling of Cross-Linked Polyethylene: Role of Gold Atoms and Dispersion InteractionsMartin Blaško, Pavel Mach, Andrej Antušek, et al.
Journal of Molecular Modeling|May 28, 2014
DFT and MD study of the divalent-cation-mediated interaction of ochratoxin A with DNA nucleosidesJozef Motyčka, Pavel Mach, Milan Melicherčík, et al.
The Journal of Physical Chemistry. A|April 28, 2018
Correction to "DFT Modeling of Cross-Linked Polyethylene: Role of Gold Atoms and Dispersion Interactions"Martin Blaško, Pavel Mach, Andrej Antušek, et al.
Physical Chemistry Chemical Physics : PCCP|June 9, 2015
Critical analysis of spectral solvent shifts calculated by the contemporary PCM approaches of a representative series of charge-transfer complexes between tetracyanoethylene and methylated benzenesŠimon Budzák, Pavel Mach, Miroslav Medved', et al.
Acta Crystallographica. Section C, Crystal Structure Communications|April 7, 2009
(E)-Methyl 2-[(2-fluorophenyl)aminomethylene]-3-oxobutanoate: X-ray and density functional theory (DFT) studyVratislav Langer, Pavel Mach, Lubomír Smrcok, et al.
Journal of Molecular Modeling|June 11, 2014
Theoretical study (CC2, DFT and PCM) of charge transfer complexes between antithyroid thioamides and TCNE: electronic CT transitionsPavel Mach, Šimon Budzák, György Juhász, et al.
Acta Crystallographica. Section C, Crystal Structure Communications|October 8, 2011
Ethyl 1-ethyl-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate: X-ray and DFT studiesVratislav Langer, Pavel Mach, Lubomír Smrčok, et al.
Pageof 2

Showing results (1-10 of 18) with videos related to

Sort By:
Pageof 2
Journal of Molecular Modeling|May 9, 2012
Theoretical study of electronic absorptions in aminopyridines - TCNE CT complexes by quantum chemical methods, including solventPavel Mach, György Juhász, Ondrej Kyseľ
Journal of Molecular Modeling|May 13, 2010
Theoretical study of structural changes caused by applying mechanical strain on peptide L24Miroslav Krajčí, Ján Urban, Pavel Mach
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|July 23, 2013
Decafluorocyclohex-1-ene at 4.2 K - crystal structure and theoretical analysis of weak interactionsLubomír Smrčok, Pavel Mach, Armel Le Bail
The Journal of Physical Chemistry. A|January 11, 2018
DFT Modeling of Cross-Linked Polyethylene: Role of Gold Atoms and Dispersion InteractionsMartin Blaško, Pavel Mach, Andrej Antušek, et al.
Journal of Molecular Modeling|May 28, 2014
DFT and MD study of the divalent-cation-mediated interaction of ochratoxin A with DNA nucleosidesJozef Motyčka, Pavel Mach, Milan Melicherčík, et al.
The Journal of Physical Chemistry. A|April 28, 2018
Correction to "DFT Modeling of Cross-Linked Polyethylene: Role of Gold Atoms and Dispersion Interactions"Martin Blaško, Pavel Mach, Andrej Antušek, et al.
Physical Chemistry Chemical Physics : PCCP|June 9, 2015
Critical analysis of spectral solvent shifts calculated by the contemporary PCM approaches of a representative series of charge-transfer complexes between tetracyanoethylene and methylated benzenesŠimon Budzák, Pavel Mach, Miroslav Medved', et al.
Acta Crystallographica. Section C, Crystal Structure Communications|April 7, 2009
(E)-Methyl 2-[(2-fluorophenyl)aminomethylene]-3-oxobutanoate: X-ray and density functional theory (DFT) studyVratislav Langer, Pavel Mach, Lubomír Smrcok, et al.
Journal of Molecular Modeling|June 11, 2014
Theoretical study (CC2, DFT and PCM) of charge transfer complexes between antithyroid thioamides and TCNE: electronic CT transitionsPavel Mach, Šimon Budzák, György Juhász, et al.
Acta Crystallographica. Section C, Crystal Structure Communications|October 8, 2011
Ethyl 1-ethyl-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate: X-ray and DFT studiesVratislav Langer, Pavel Mach, Lubomír Smrčok, et al.
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