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Journal of Chemical Information and Modeling
|
June 12, 2008
ZEOBUILDER: A GUI toolkit for the construction of complex molecular structures on the nanoscale with building blocks
T Verstraelen, V Van Speybroeck, M Waroquier
The Journal of Organic Chemistry
|
April 23, 2005
N-Alkenyl-2-aziridinylmethyl radicals and N-alkenylaminyl radicals in cascade cyclizations to pyrrolizidines and indolizidines
V Van Speybroeck, N De Kimpe, M Waroquier
The Journal of Physical Chemistry. A
|
July 27, 2006
Rules for generating conformers and their relative energies in n-alkanes with a heteroelement O or S: ethers and alcohols, or sulfides and thiols
P Vansteenkiste, E Pauwels, V Van Speybroeck, et al.
Journal of the American Chemical Society
|
October 25, 2001
Ab initio and experimental study on thermally degradable polycarbonates: the effect of substituents on the reaction rates
V Van Speybroeck, Y Martelé, M Waroquier, et al.
Nature Communications
|
November 23, 2018
Tuning the balance between dispersion and entropy to design temperature-responsive flexible metal-organic frameworks
J Wieme, K Lejaeghere, G Kresse, et al.
The Journal of Physical Chemistry. B
|
January 15, 2008
Molecular environment and temperature dependence of hyperfine interactions in sugar crystal radicals from first principles
R Declerck, E Pauwels, V Van Speybroeck, et al.
The Journal of Chemical Physics
|
February 8, 2006
An extended hindered-rotor model with incorporation of Coriolis and vibrational-rotational coupling for calculating partition functions and derived quantities
P Vansteenkiste, D Van Neck, V Van Speybroeck, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Hirshfeld-E Partitioning: AIM Charges with an Improved Trade-off between Robustness and Accurate Electrostatics
T Verstraelen, P W Ayers, V Van Speybroeck, et al.
The Journal of Chemical Physics
|
March 1, 2013
ACKS2: atom-condensed Kohn-Sham DFT approximated to second order
T Verstraelen, P W Ayers, V Van Speybroeck, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 4, 2005
Ab initio study of free-radical polymerizations: cost-effective methods to determine the reaction rates
V Van Speybroeck, J K Van Cauter, B Coussens, et al.
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of 4
Search research articles
Search
Showing results (1-10 of 32) with videos related to
Sort By:
Page
of 4
Journal of Chemical Information and Modeling
|
June 12, 2008
ZEOBUILDER: A GUI toolkit for the construction of complex molecular structures on the nanoscale with building blocks
T Verstraelen, V Van Speybroeck, M Waroquier
The Journal of Organic Chemistry
|
April 23, 2005
N-Alkenyl-2-aziridinylmethyl radicals and N-alkenylaminyl radicals in cascade cyclizations to pyrrolizidines and indolizidines
V Van Speybroeck, N De Kimpe, M Waroquier
The Journal of Physical Chemistry. A
|
July 27, 2006
Rules for generating conformers and their relative energies in n-alkanes with a heteroelement O or S: ethers and alcohols, or sulfides and thiols
P Vansteenkiste, E Pauwels, V Van Speybroeck, et al.
Journal of the American Chemical Society
|
October 25, 2001
Ab initio and experimental study on thermally degradable polycarbonates: the effect of substituents on the reaction rates
V Van Speybroeck, Y Martelé, M Waroquier, et al.
Nature Communications
|
November 23, 2018
Tuning the balance between dispersion and entropy to design temperature-responsive flexible metal-organic frameworks
J Wieme, K Lejaeghere, G Kresse, et al.
The Journal of Physical Chemistry. B
|
January 15, 2008
Molecular environment and temperature dependence of hyperfine interactions in sugar crystal radicals from first principles
R Declerck, E Pauwels, V Van Speybroeck, et al.
The Journal of Chemical Physics
|
February 8, 2006
An extended hindered-rotor model with incorporation of Coriolis and vibrational-rotational coupling for calculating partition functions and derived quantities
P Vansteenkiste, D Van Neck, V Van Speybroeck, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Hirshfeld-E Partitioning: AIM Charges with an Improved Trade-off between Robustness and Accurate Electrostatics
T Verstraelen, P W Ayers, V Van Speybroeck, et al.
The Journal of Chemical Physics
|
March 1, 2013
ACKS2: atom-condensed Kohn-Sham DFT approximated to second order
T Verstraelen, P W Ayers, V Van Speybroeck, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 4, 2005
Ab initio study of free-radical polymerizations: cost-effective methods to determine the reaction rates
V Van Speybroeck, J K Van Cauter, B Coussens, et al.
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of 4