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Journal of Chemical Theory and Computation
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December 2, 2015
Assessment of Density Functionals for Intramolecular Dispersion-Rich Interactions
Tanja van Mourik
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
November 13, 2004
First-principles quantum chemistry in the life sciences
Tanja van Mourik
Journal of Computational Chemistry
|
November 15, 2007
Comment on "aromatic-backbone interactions in model alpha-helical peptides" [Palermo et al., J Comput Chem 2007, 28, 1208]
Tanja Van Mourik
The Journal of Physical Chemistry. A
|
October 16, 2008
Basis set superposition error effects cause the apparent nonexistence of the ethene/benzenium ion complex on the MP2 potential energy surface
Tanja van Mourik
The Journal of Chemical Physics
|
November 30, 2006
Density functional theory reveals an increase in the amino 1H chemical shift in guanine due to hydrogen bonding with water
Tanja van Mourik
Physical Chemistry Chemical Physics : PCCP
|
January 14, 2021
A quinone based single-molecule switch as building block for molecular electronics
Herbert Früchtl, Tanja van Mourik
Physical Chemistry Chemical Physics : PCCP
|
March 26, 2010
Structure of the gas-phase glycine tripeptide
Dimitrios Toroz, Tanja van Mourik
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 30, 2005
Characterization of the monovalent ion position and hydrogen-bond network in guanine quartets by DFT calculations of NMR parameters
Tanja van Mourik, Andrew J Dingley
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 16, 2007
Geometry dependence of spin-spin couplings in cyanamide by DFT analysis
Tanja van Mourik, Andrew J Dingley
Physical Chemistry Chemical Physics : PCCP
|
October 29, 2015
Stacking of the mutagenic base analogue 5-bromouracil: energy landscapes of pyrimidine dimers in gas phase and water
Leo F Holroyd, Tanja van Mourik
Page
of 6
Search research articles
Search
Showing results (1-10 of 54) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
December 2, 2015
Assessment of Density Functionals for Intramolecular Dispersion-Rich Interactions
Tanja van Mourik
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
November 13, 2004
First-principles quantum chemistry in the life sciences
Tanja van Mourik
Journal of Computational Chemistry
|
November 15, 2007
Comment on "aromatic-backbone interactions in model alpha-helical peptides" [Palermo et al., J Comput Chem 2007, 28, 1208]
Tanja Van Mourik
The Journal of Physical Chemistry. A
|
October 16, 2008
Basis set superposition error effects cause the apparent nonexistence of the ethene/benzenium ion complex on the MP2 potential energy surface
Tanja van Mourik
The Journal of Chemical Physics
|
November 30, 2006
Density functional theory reveals an increase in the amino 1H chemical shift in guanine due to hydrogen bonding with water
Tanja van Mourik
Physical Chemistry Chemical Physics : PCCP
|
January 14, 2021
A quinone based single-molecule switch as building block for molecular electronics
Herbert Früchtl, Tanja van Mourik
Physical Chemistry Chemical Physics : PCCP
|
March 26, 2010
Structure of the gas-phase glycine tripeptide
Dimitrios Toroz, Tanja van Mourik
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 30, 2005
Characterization of the monovalent ion position and hydrogen-bond network in guanine quartets by DFT calculations of NMR parameters
Tanja van Mourik, Andrew J Dingley
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 16, 2007
Geometry dependence of spin-spin couplings in cyanamide by DFT analysis
Tanja van Mourik, Andrew J Dingley
Physical Chemistry Chemical Physics : PCCP
|
October 29, 2015
Stacking of the mutagenic base analogue 5-bromouracil: energy landscapes of pyrimidine dimers in gas phase and water
Leo F Holroyd, Tanja van Mourik
Page
of 6