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Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
February 12, 2014
Density functional theory across chemistry, physics and biology
Tanja van Mourik, Michael Bühl, Marie-Pierre Gaigeot
The Journal of Physical Chemistry. A
|
January 6, 2006
Molecular conformations and relative stabilities can be as demanding of the electronic structure method as intermolecular calculations
Tanja van Mourik, Panagiotis G Karamertzanis, Sarah L Price
Journal of Chemical Theory and Computation
|
November 20, 2015
Computational Studies of Bridging Structures and Isomerism in Substituted Disilynes
Lukasz M Serafin, Mark M Law, Tanja van Mourik
Molecules (Basel, Switzerland)
|
April 28, 2023
Towards Computational Modeling of Ligand Binding to the ILPR G-Quadruplex
Xiaotong Zhang, John Barrow, Tanja van Mourik, et al.
The Journal of Chemical Physics
|
January 21, 2012
Low-energy electron scattering with the purine bases of DNA/RNA using the R-matrix method
Amar Dora, Lilianna Bryjko, Tanja van Mourik, et al.
The Journal of Chemical Physics
|
May 2, 2009
R-matrix calculation of low-energy electron collisions with uracil
Amar Dora, Jonathan Tennyson, Lilianna Bryjko, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 14, 2011
Modelling zwitterions in solution: 3-fluoro-γ-aminobutyric acid (3F-GABA)
Jie Cao, Ragnar Bjornsson, Michael Bühl, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 18, 2016
A DFT study of 2-aminopurine-containing dinucleotides: prediction of stacked conformations with B-DNA structure
Darren A Smith, Leo F Holroyd, Tanja van Mourik, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 30, 2009
The structure of (SCN)(x): a study using molecular and solid-state density functional theory calculations
Herbert A Früchtl, Tanja van Mourik, Chris J Pickard, et al.
Angewandte Chemie (International Ed. in English)
|
June 28, 2022
Umpolung of an Aliphatic Ketone to a Magnesium Ketone-1,2-diide Complex with Vicinal Dianionic Charge
Stuart Burnett, Connor Bourne, Alexandra M Z Slawin, et al.
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Search research articles
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Showing results (21-30 of 54) with videos related to
Sort By:
Page
of 6
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
February 12, 2014
Density functional theory across chemistry, physics and biology
Tanja van Mourik, Michael Bühl, Marie-Pierre Gaigeot
The Journal of Physical Chemistry. A
|
January 6, 2006
Molecular conformations and relative stabilities can be as demanding of the electronic structure method as intermolecular calculations
Tanja van Mourik, Panagiotis G Karamertzanis, Sarah L Price
Journal of Chemical Theory and Computation
|
November 20, 2015
Computational Studies of Bridging Structures and Isomerism in Substituted Disilynes
Lukasz M Serafin, Mark M Law, Tanja van Mourik
Molecules (Basel, Switzerland)
|
April 28, 2023
Towards Computational Modeling of Ligand Binding to the ILPR G-Quadruplex
Xiaotong Zhang, John Barrow, Tanja van Mourik, et al.
The Journal of Chemical Physics
|
January 21, 2012
Low-energy electron scattering with the purine bases of DNA/RNA using the R-matrix method
Amar Dora, Lilianna Bryjko, Tanja van Mourik, et al.
The Journal of Chemical Physics
|
May 2, 2009
R-matrix calculation of low-energy electron collisions with uracil
Amar Dora, Jonathan Tennyson, Lilianna Bryjko, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 14, 2011
Modelling zwitterions in solution: 3-fluoro-γ-aminobutyric acid (3F-GABA)
Jie Cao, Ragnar Bjornsson, Michael Bühl, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 18, 2016
A DFT study of 2-aminopurine-containing dinucleotides: prediction of stacked conformations with B-DNA structure
Darren A Smith, Leo F Holroyd, Tanja van Mourik, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 30, 2009
The structure of (SCN)(x): a study using molecular and solid-state density functional theory calculations
Herbert A Früchtl, Tanja van Mourik, Chris J Pickard, et al.
Angewandte Chemie (International Ed. in English)
|
June 28, 2022
Umpolung of an Aliphatic Ketone to a Magnesium Ketone-1,2-diide Complex with Vicinal Dianionic Charge
Stuart Burnett, Connor Bourne, Alexandra M Z Slawin, et al.
Page
of 6