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Physical Chemistry Chemical Physics : PCCP
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April 25, 2006
Structure and dynamics of the [Zn(NH3)(H2O)5]2+ complex in aqueous solution obtained by an ab initio QM/MM molecular dynamics study
M Qaiser Fatmi, Thomas S Hofer, Bernhard R Randolf, et al.
Journal of Computational Chemistry
|
March 8, 2007
Quantum mechanical charge field molecular dynamics simulation of the TiO2+ ion in aqueous solution
M Qaiser Fatmi, Thomas S Hofer, Bernhard R Randolf, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 1, 2009
The influence of heteroligands on the reactivity of Ni2+ in solution
Christian F Schwenk, Thomas S Hofer, Bernhard R Randolf, et al.
Chemical Physics Letters
|
February 3, 2012
Hydration of highly charged ions
Thomas S Hofer, Alexander K H Weiss, Bernhard R Randolf, et al.
Biomedical Chromatography : BMC
|
October 8, 2013
Lanthanide-IMAC enrichment of carbohydrates and polyols
Dieter Schemeth, Matthias Rainer, Christoph B Messner, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 7, 2012
Guanidinium in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD)
Alexander K H Weiss, Thomas S Hofer, Bernhard R Randolf, et al.
Analytica Chimica Acta
|
May 6, 2014
Reproducible quantification of ethanol in gasoline via a customized mobile near-infrared spectrometer
Oliver M D Lutz, Günther K Bonn, Bernd M Rode, et al.
Chemical Physics Letters
|
April 9, 2013
Computational study of the cerium(III) ion in aqueous environment
Oliver M D Lutz, Thomas S Hofer, Bernhard R Randolf, et al.
Molecules (Basel, Switzerland)
|
December 20, 2014
Largely reduced grid densities in a vibrational self-consistent field treatment do not significantly impact the resultingwavenumbers
Oliver M D Lutz, Bernd M Rode, Günther K Bonn, et al.
The Journal of Chemical Physics
|
July 5, 2013
Dynamics of ligand exchange mechanism at Cu(II) in water: an ab initio quantum mechanical charge field molecular dynamics study with extended quantum mechanical region
Syed Tarique Moin, Thomas S Hofer, Alexander K H Weiss, et al.
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of 10
Search research articles
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Showing results (61-70 of 98) with videos related to
Sort By:
Page
of 10
Physical Chemistry Chemical Physics : PCCP
|
April 25, 2006
Structure and dynamics of the [Zn(NH3)(H2O)5]2+ complex in aqueous solution obtained by an ab initio QM/MM molecular dynamics study
M Qaiser Fatmi, Thomas S Hofer, Bernhard R Randolf, et al.
Journal of Computational Chemistry
|
March 8, 2007
Quantum mechanical charge field molecular dynamics simulation of the TiO2+ ion in aqueous solution
M Qaiser Fatmi, Thomas S Hofer, Bernhard R Randolf, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 1, 2009
The influence of heteroligands on the reactivity of Ni2+ in solution
Christian F Schwenk, Thomas S Hofer, Bernhard R Randolf, et al.
Chemical Physics Letters
|
February 3, 2012
Hydration of highly charged ions
Thomas S Hofer, Alexander K H Weiss, Bernhard R Randolf, et al.
Biomedical Chromatography : BMC
|
October 8, 2013
Lanthanide-IMAC enrichment of carbohydrates and polyols
Dieter Schemeth, Matthias Rainer, Christoph B Messner, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 7, 2012
Guanidinium in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD)
Alexander K H Weiss, Thomas S Hofer, Bernhard R Randolf, et al.
Analytica Chimica Acta
|
May 6, 2014
Reproducible quantification of ethanol in gasoline via a customized mobile near-infrared spectrometer
Oliver M D Lutz, Günther K Bonn, Bernd M Rode, et al.
Chemical Physics Letters
|
April 9, 2013
Computational study of the cerium(III) ion in aqueous environment
Oliver M D Lutz, Thomas S Hofer, Bernhard R Randolf, et al.
Molecules (Basel, Switzerland)
|
December 20, 2014
Largely reduced grid densities in a vibrational self-consistent field treatment do not significantly impact the resultingwavenumbers
Oliver M D Lutz, Bernd M Rode, Günther K Bonn, et al.
The Journal of Chemical Physics
|
July 5, 2013
Dynamics of ligand exchange mechanism at Cu(II) in water: an ab initio quantum mechanical charge field molecular dynamics study with extended quantum mechanical region
Syed Tarique Moin, Thomas S Hofer, Alexander K H Weiss, et al.
Page
of 10