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Journal of Computational Chemistry
|
May 18, 2007
Visualization and integration of quantum topological atoms by spatial discretization into finite elements
M Rafat, P L A Popelier
The Journal of Physical Chemistry. A
|
February 7, 2007
The effects of hydrogen-bonding environment on the polarization and electronic properties of water molecules
M Devereux, P L A Popelier
The Journal of Chemical Physics
|
April 22, 2006
A convergent multipole expansion for 1,3 and 1,4 Coulomb interactions
M Rafat, P L A Popelier
The Journal of Chemical Physics
|
December 15, 2005
The electrostatic potential generated by topological atoms. II. Inverse multipole moments
M Rafat, P L A Popelier
Journal of Computational Chemistry
|
November 17, 2006
Atom-atom partitioning of total (super)molecular energy: the hidden terms of classical force fields
M Rafat, P L A Popelier
European Journal of Medicinal Chemistry
|
May 16, 2006
QSAR models based on quantum topological molecular similarity
P L A Popelier, P J Smith
Physical Chemistry Chemical Physics : PCCP
|
May 17, 2011
pKa prediction from an ab initio bond length: part 2--phenols
A P Harding, P L A Popelier
Journal of the American Chemical Society
|
January 30, 2003
Atomic properties of selected biomolecules: quantum topological atom types of carbon occurring in natural amino acids and derived molecules
P L A Popelier, F M Aicken
The Journal of Organic Chemistry
|
January 17, 2004
Estimation of pKa using quantum topological molecular similarity descriptors: application to carboxylic acids, anilines and phenols
U A Chaudry, P L A Popelier
Journal of Computer-Aided Molecular Design
|
August 4, 2004
Quantitative structure-activity relationships from optimised ab initio bond lengths: steroid binding affinity and antibacterial activity of nitrofuran derivatives
P J Smith, P L A Popelier
Page
of 2
Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
Journal of Computational Chemistry
|
May 18, 2007
Visualization and integration of quantum topological atoms by spatial discretization into finite elements
M Rafat, P L A Popelier
The Journal of Physical Chemistry. A
|
February 7, 2007
The effects of hydrogen-bonding environment on the polarization and electronic properties of water molecules
M Devereux, P L A Popelier
The Journal of Chemical Physics
|
April 22, 2006
A convergent multipole expansion for 1,3 and 1,4 Coulomb interactions
M Rafat, P L A Popelier
The Journal of Chemical Physics
|
December 15, 2005
The electrostatic potential generated by topological atoms. II. Inverse multipole moments
M Rafat, P L A Popelier
Journal of Computational Chemistry
|
November 17, 2006
Atom-atom partitioning of total (super)molecular energy: the hidden terms of classical force fields
M Rafat, P L A Popelier
European Journal of Medicinal Chemistry
|
May 16, 2006
QSAR models based on quantum topological molecular similarity
P L A Popelier, P J Smith
Physical Chemistry Chemical Physics : PCCP
|
May 17, 2011
pKa prediction from an ab initio bond length: part 2--phenols
A P Harding, P L A Popelier
Journal of the American Chemical Society
|
January 30, 2003
Atomic properties of selected biomolecules: quantum topological atom types of carbon occurring in natural amino acids and derived molecules
P L A Popelier, F M Aicken
The Journal of Organic Chemistry
|
January 17, 2004
Estimation of pKa using quantum topological molecular similarity descriptors: application to carboxylic acids, anilines and phenols
U A Chaudry, P L A Popelier
Journal of Computer-Aided Molecular Design
|
August 4, 2004
Quantitative structure-activity relationships from optimised ab initio bond lengths: steroid binding affinity and antibacterial activity of nitrofuran derivatives
P J Smith, P L A Popelier
Page
of 2