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Physical Chemistry Chemical Physics : PCCP
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June 25, 2011
First-principles study of fluoroform adsorption on a hexagonal ice (0001) surface: weak hydrogen bonds-strong structural effects
Pawel Rodziewicz, Konstanty S Rutkowski, Bernd Meyer
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
May 16, 2020
Conformational diversity of the THF molecule in N<sub>2</sub> matrix by means of FTIR matrix isolation experiment and Car-Parrinello molecular dynamics simulations
Joanna Stocka, Justinas Čeponkus, Valdas Šablinskas, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 9, 2005
Car-Parrinello molecular dynamics study of a blue-shifted intermolecular weak-hydrogen-bond system
Pawel Rodziewicz, Sonia M Melikova, Konstantin S Rutkowski, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 22, 2005
Ab initio studies of electron acceptor-donor interactions with blue- and red-shifted hydrogen bonds
Pawel Rodziewicz, Konstantin S Rutkowski, Sonia M Melikova, et al.
Journal of Hazardous Materials
|
August 2, 2020
Adsorption of sulfur mustard on clean and water-saturated ZnO(101¯0): Structural diversity from first-principles calculations
Tobias Klöffel, Mariana Kozlowska, Stanislaw Popiel, et al.
Acta Crystallographica. Section E, Structure Reports Online
|
March 8, 2013
Tris(1,10-phenanthroline-κ(2) N,N')ruthenium(II) bis-(perchlorate)
Mariana Kozlowska, Pawel Rodziewicz, Diana Malgorzata Brus, et al.
Acta Crystallographica. Section E, Structure Reports Online
|
January 4, 2013
Bis(2,2':6',2''-terpyridine)-ruthenium(II) bis-(perchlorate) hemihydrate
Mariana Kozlowska, Pawel Rodziewicz, Diana Malgorzata Brus, et al.
The Journal of Physical Chemistry. A
|
September 25, 2007
Formamide dimers: a computational and matrix isolation study
Artur Mardyukov, Elsa Sanchez-Garcia, Pawel Rodziewicz, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 16, 2006
Car-Parrinello molecular dynamics study of the blue-shifted F3CH...FCD3 system in liquid N2
Pawel Rodziewicz, Konstanty S Rutkowski, Sonia M Melikova, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 15, 2018
Solvation of diclofenac in water from atomistic molecular dynamics simulations - interplay between solute-solute and solute-solvent interactions
Mariana Kozlowska, Pawel Rodziewicz, Tillmann Utesch, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 23) with videos related to
Sort By:
Page
of 3
Physical Chemistry Chemical Physics : PCCP
|
June 25, 2011
First-principles study of fluoroform adsorption on a hexagonal ice (0001) surface: weak hydrogen bonds-strong structural effects
Pawel Rodziewicz, Konstanty S Rutkowski, Bernd Meyer
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
May 16, 2020
Conformational diversity of the THF molecule in N<sub>2</sub> matrix by means of FTIR matrix isolation experiment and Car-Parrinello molecular dynamics simulations
Joanna Stocka, Justinas Čeponkus, Valdas Šablinskas, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 9, 2005
Car-Parrinello molecular dynamics study of a blue-shifted intermolecular weak-hydrogen-bond system
Pawel Rodziewicz, Sonia M Melikova, Konstantin S Rutkowski, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 22, 2005
Ab initio studies of electron acceptor-donor interactions with blue- and red-shifted hydrogen bonds
Pawel Rodziewicz, Konstantin S Rutkowski, Sonia M Melikova, et al.
Journal of Hazardous Materials
|
August 2, 2020
Adsorption of sulfur mustard on clean and water-saturated ZnO(101¯0): Structural diversity from first-principles calculations
Tobias Klöffel, Mariana Kozlowska, Stanislaw Popiel, et al.
Acta Crystallographica. Section E, Structure Reports Online
|
March 8, 2013
Tris(1,10-phenanthroline-κ(2) N,N')ruthenium(II) bis-(perchlorate)
Mariana Kozlowska, Pawel Rodziewicz, Diana Malgorzata Brus, et al.
Acta Crystallographica. Section E, Structure Reports Online
|
January 4, 2013
Bis(2,2':6',2''-terpyridine)-ruthenium(II) bis-(perchlorate) hemihydrate
Mariana Kozlowska, Pawel Rodziewicz, Diana Malgorzata Brus, et al.
The Journal of Physical Chemistry. A
|
September 25, 2007
Formamide dimers: a computational and matrix isolation study
Artur Mardyukov, Elsa Sanchez-Garcia, Pawel Rodziewicz, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 16, 2006
Car-Parrinello molecular dynamics study of the blue-shifted F3CH...FCD3 system in liquid N2
Pawel Rodziewicz, Konstanty S Rutkowski, Sonia M Melikova, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 15, 2018
Solvation of diclofenac in water from atomistic molecular dynamics simulations - interplay between solute-solute and solute-solvent interactions
Mariana Kozlowska, Pawel Rodziewicz, Tillmann Utesch, et al.
Page
of 3