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The Journal of Chemical Physics
|
July 30, 2004
An ab initio study of the hyperfine structure in the X2 Pi electronic state of CCCH
Miljenko Perić, Milena Mladenović, Bernd Engels
The Journal of Physical Chemistry. A
|
July 13, 2006
On the homolytic cleavage of the N,O bond in N-(methoxy)pyridine-2(1H)-thione and N-(methoxy)thiazole-2(3H)-thione in thermally and photochemically induced reactions: a theoretical study
Mario Arnone, Jens Hartung, Bernd Engels
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 23, 2007
How important is molecular rigidity for the complex stability of artificial host-guest systems? A theoretical study on self-assembly of gas-phase arginine
Sebastian Schlund, Carsten Schmuck, Bernd Engels
The Journal of Chemical Physics
|
December 21, 2004
An ab initio calculation of the anisotropic hyperfine coupling constants in the low-lying vibronic levels of the X 2Pi electronic state of CCCH
Milena Mladenović, Miljenko Perić, Bernd Engels
The Journal of Physical Chemistry. B
|
August 9, 2013
Cation-π interactions: accurate intermolecular potential from symmetry-adapted perturbation theory
Kay Ansorg, Maxim Tafipolsky, Bernd Engels
Journal of the American Chemical Society
|
August 4, 2005
"Knock-out" analogues as a tool to quantify supramolecular processes: a theoretical study of molecular interactions in guanidiniocarbonyl pyrrole carboxylate dimers
Sebastian Schlund, Carsten Schmuck, Bernd Engels
Journal of Computational Chemistry
|
May 8, 2013
PathOpt--a global transition state search approach: outline of algorithm
Christoph Grebner, Lukas P Pason, Bernd Engels
Chemmedchem
|
April 20, 2010
Mechanistic study of the reaction of thiol-containing enzymes with alpha,beta-unsaturated carbonyl substrates by computation and chemoassays
Alexander Paasche, Markus Schiller, Tanja Schirmeister, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 12, 2009
1-Phenyl-1,2-cyclohexadiene: astoundingly high enantioselectivities on generation in a Doering-Moore-Skattebøl reaction and interception by activated olefins
Manfred Christl, Hartmut Fischer, Mario Arnone, et al.
Journal of Computational Chemistry
|
May 5, 2011
Efficiency of tabu-search-based conformational search algorithms
Christoph Grebner, Johannes Becker, Svetlana Stepanenko, et al.
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Showing results (21-30 of 173) with videos related to
Sort By:
Page
of 18
The Journal of Chemical Physics
|
July 30, 2004
An ab initio study of the hyperfine structure in the X2 Pi electronic state of CCCH
Miljenko Perić, Milena Mladenović, Bernd Engels
The Journal of Physical Chemistry. A
|
July 13, 2006
On the homolytic cleavage of the N,O bond in N-(methoxy)pyridine-2(1H)-thione and N-(methoxy)thiazole-2(3H)-thione in thermally and photochemically induced reactions: a theoretical study
Mario Arnone, Jens Hartung, Bernd Engels
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 23, 2007
How important is molecular rigidity for the complex stability of artificial host-guest systems? A theoretical study on self-assembly of gas-phase arginine
Sebastian Schlund, Carsten Schmuck, Bernd Engels
The Journal of Chemical Physics
|
December 21, 2004
An ab initio calculation of the anisotropic hyperfine coupling constants in the low-lying vibronic levels of the X 2Pi electronic state of CCCH
Milena Mladenović, Miljenko Perić, Bernd Engels
The Journal of Physical Chemistry. B
|
August 9, 2013
Cation-π interactions: accurate intermolecular potential from symmetry-adapted perturbation theory
Kay Ansorg, Maxim Tafipolsky, Bernd Engels
Journal of the American Chemical Society
|
August 4, 2005
"Knock-out" analogues as a tool to quantify supramolecular processes: a theoretical study of molecular interactions in guanidiniocarbonyl pyrrole carboxylate dimers
Sebastian Schlund, Carsten Schmuck, Bernd Engels
Journal of Computational Chemistry
|
May 8, 2013
PathOpt--a global transition state search approach: outline of algorithm
Christoph Grebner, Lukas P Pason, Bernd Engels
Chemmedchem
|
April 20, 2010
Mechanistic study of the reaction of thiol-containing enzymes with alpha,beta-unsaturated carbonyl substrates by computation and chemoassays
Alexander Paasche, Markus Schiller, Tanja Schirmeister, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 12, 2009
1-Phenyl-1,2-cyclohexadiene: astoundingly high enantioselectivities on generation in a Doering-Moore-Skattebøl reaction and interception by activated olefins
Manfred Christl, Hartmut Fischer, Mario Arnone, et al.
Journal of Computational Chemistry
|
May 5, 2011
Efficiency of tabu-search-based conformational search algorithms
Christoph Grebner, Johannes Becker, Svetlana Stepanenko, et al.
Page
of 18