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Chemical Communications (Cambridge, England)
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September 20, 2008
Towards understanding phosphonoacetaldehyde hydrolase: an alternative mechanism involving proton transfer that triggers P-C bond cleavage
Borys Szefczyk
Soft Matter
|
July 10, 2019
Exploration of the reactive modelling of sol-gel polycondensation in the presence of templates
Manuel Azenha, Borys Szefczyk
Journal of Molecular Modeling
|
September 9, 2016
Parameterization and optimization of the menthol force field for molecular dynamics simulations
Mateusz Jasik, Borys Szefczyk
The Journal of Physical Chemistry. B
|
February 13, 2015
Structure of alkylimidazolium-based ionic liquids at the interface with vacuum and water--a molecular dynamics study
Jan K Konieczny, Borys Szefczyk
The Journal of Physical Chemistry. B
|
February 4, 2014
Physical nature of intermolecular interactions in [BMIM][PF6] ionic liquid
Borys Szefczyk, W Andrzej Sokalski
Journal of Chemical Theory and Computation
|
November 20, 2015
Geometries and Vertical Excitation Energies in Retinal Analogues Resolved at the CASPT2 Level of Theory: Critical Assessment of the Performance of CASSCF, CC2, and DFT Methods
Elżbieta Walczak, Borys Szefczyk, Tadeusz Andruniów
The Journal of Physical Chemistry. B
|
March 11, 2011
Physical properties at the base for the development of an all-atom force field for ethylene glycol
Borys Szefczyk, M Natália D S Cordeiro
The Journal of Organic Chemistry
|
December 2, 2014
Symmetrical imidazolium chloride based on (-)-menthol: synthesis, characterization, and theoretical model of the reaction
Joanna Feder-Kubis, Borys Szefczyk, Maciej Kubicki
Journal of Molecular Modeling
|
March 12, 2008
Ab initio multireference study of Hetero-Diels-Alder reaction of buta-1,3-diene with alkyl glyoxylates
Borys Szefczyk, Tadeusz Andruniów, W Andrzej Sokalski
Journal of Computational Chemistry
|
May 18, 2017
Excited-state minima and emission energies of retinal chromophore analogues: Performance of CASSCF and CC2 methods as compared with CASPT2
Borys Szefczyk, Dawid Grabarek, Elżbieta Walczak, et al.
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of 2
Search research articles
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Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
Chemical Communications (Cambridge, England)
|
September 20, 2008
Towards understanding phosphonoacetaldehyde hydrolase: an alternative mechanism involving proton transfer that triggers P-C bond cleavage
Borys Szefczyk
Soft Matter
|
July 10, 2019
Exploration of the reactive modelling of sol-gel polycondensation in the presence of templates
Manuel Azenha, Borys Szefczyk
Journal of Molecular Modeling
|
September 9, 2016
Parameterization and optimization of the menthol force field for molecular dynamics simulations
Mateusz Jasik, Borys Szefczyk
The Journal of Physical Chemistry. B
|
February 13, 2015
Structure of alkylimidazolium-based ionic liquids at the interface with vacuum and water--a molecular dynamics study
Jan K Konieczny, Borys Szefczyk
The Journal of Physical Chemistry. B
|
February 4, 2014
Physical nature of intermolecular interactions in [BMIM][PF6] ionic liquid
Borys Szefczyk, W Andrzej Sokalski
Journal of Chemical Theory and Computation
|
November 20, 2015
Geometries and Vertical Excitation Energies in Retinal Analogues Resolved at the CASPT2 Level of Theory: Critical Assessment of the Performance of CASSCF, CC2, and DFT Methods
Elżbieta Walczak, Borys Szefczyk, Tadeusz Andruniów
The Journal of Physical Chemistry. B
|
March 11, 2011
Physical properties at the base for the development of an all-atom force field for ethylene glycol
Borys Szefczyk, M Natália D S Cordeiro
The Journal of Organic Chemistry
|
December 2, 2014
Symmetrical imidazolium chloride based on (-)-menthol: synthesis, characterization, and theoretical model of the reaction
Joanna Feder-Kubis, Borys Szefczyk, Maciej Kubicki
Journal of Molecular Modeling
|
March 12, 2008
Ab initio multireference study of Hetero-Diels-Alder reaction of buta-1,3-diene with alkyl glyoxylates
Borys Szefczyk, Tadeusz Andruniów, W Andrzej Sokalski
Journal of Computational Chemistry
|
May 18, 2017
Excited-state minima and emission energies of retinal chromophore analogues: Performance of CASSCF and CC2 methods as compared with CASPT2
Borys Szefczyk, Dawid Grabarek, Elżbieta Walczak, et al.
Page
of 2