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Journal of Molecular Modeling
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October 25, 2012
A molecular dynamics study on sI hydrogen hydrate
S Mondal, S Ghosh, P K Chattaraj
Journal of Chemical Theory and Computation
|
December 4, 2015
Comparison of Global Reactivity Descriptors Calculated Using Various Density Functionals: A QSAR Perspective
R Vijayaraj, V Subramanian, P K Chattaraj
The Journal of Physical Chemistry. A
|
September 15, 2009
Dirichlet boundary conditions and effect of confinement on chemical reactivity
U Sarkar, S Giri, P K Chattaraj
Physical Chemistry Chemical Physics : PCCP
|
March 30, 2019
Bond stretch isomerism in Be<sub>3</sub><sup>2-</sup> driven by the Renner-Teller effect
Manoswita Homray, Sukanta Mondal, Anirban Misra, et al.
Chemical Research in Toxicology
|
March 21, 2006
Group philicity and electrophilicity as possible descriptors for modeling ecotoxicity applied to chlorophenols
J Padmanabhan, R Parthasarathi, V Subramanian, et al.
The Journal of Physical Chemistry. A
|
December 8, 2005
Molecular structure, reactivity, and toxicity of the complete series of chlorinated benzenes
J Padmanabhan, R Parthasarathi, V Subramanian, et al.
The Journal of Physical Chemistry. A
|
February 24, 2006
Chemical reactivity indices for the complete series of chlorinated benzenes: solvent effect
J Padmanabhan, R Parthasarathi, V Subramanian, et al.
The Journal of Physical Chemistry. A
|
August 11, 2006
Theoretical study on the complete series of chloroanilines
J Padmanabhan, R Parthasarathi, V Subramanian, et al.
The Journal of Physical Chemistry. A
|
January 30, 2007
Electrophilicity-based charge transfer descriptor
J Padmanabhan, R Parthasarathi, V Subramanian, et al.
Bioorganic & Medicinal Chemistry
|
October 11, 2005
QSPR models for polychlorinated biphenyls: n-Octanol/water partition coefficient
J Padmanabhan, R Parthasarathi, V Subramanian, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
Journal of Molecular Modeling
|
October 25, 2012
A molecular dynamics study on sI hydrogen hydrate
S Mondal, S Ghosh, P K Chattaraj
Journal of Chemical Theory and Computation
|
December 4, 2015
Comparison of Global Reactivity Descriptors Calculated Using Various Density Functionals: A QSAR Perspective
R Vijayaraj, V Subramanian, P K Chattaraj
The Journal of Physical Chemistry. A
|
September 15, 2009
Dirichlet boundary conditions and effect of confinement on chemical reactivity
U Sarkar, S Giri, P K Chattaraj
Physical Chemistry Chemical Physics : PCCP
|
March 30, 2019
Bond stretch isomerism in Be<sub>3</sub><sup>2-</sup> driven by the Renner-Teller effect
Manoswita Homray, Sukanta Mondal, Anirban Misra, et al.
Chemical Research in Toxicology
|
March 21, 2006
Group philicity and electrophilicity as possible descriptors for modeling ecotoxicity applied to chlorophenols
J Padmanabhan, R Parthasarathi, V Subramanian, et al.
The Journal of Physical Chemistry. A
|
December 8, 2005
Molecular structure, reactivity, and toxicity of the complete series of chlorinated benzenes
J Padmanabhan, R Parthasarathi, V Subramanian, et al.
The Journal of Physical Chemistry. A
|
February 24, 2006
Chemical reactivity indices for the complete series of chlorinated benzenes: solvent effect
J Padmanabhan, R Parthasarathi, V Subramanian, et al.
The Journal of Physical Chemistry. A
|
August 11, 2006
Theoretical study on the complete series of chloroanilines
J Padmanabhan, R Parthasarathi, V Subramanian, et al.
The Journal of Physical Chemistry. A
|
January 30, 2007
Electrophilicity-based charge transfer descriptor
J Padmanabhan, R Parthasarathi, V Subramanian, et al.
Bioorganic & Medicinal Chemistry
|
October 11, 2005
QSPR models for polychlorinated biphenyls: n-Octanol/water partition coefficient
J Padmanabhan, R Parthasarathi, V Subramanian, et al.
Page
of 2