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Ajitha Devarajan

Showing results (1-10 of 9) with videos related to

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The Journal of Chemical Physics|May 27, 2009
Two-component relativistic density functional method for computing nonsingular complex linear response of molecules based on the zeroth order regular approximationAjitha Devarajan, Alexander Gaenko, Jochen Autschbach
Journal of Inorganic Biochemistry|March 12, 2008
Effect of covalent links on the structure, spectra, and redox properties of myeloperoxidase--a density functional studyAjitha Devarajan, Alexander V Gaenko, Ulf Ryde
The Journal of Physical Chemistry. A|October 18, 2011
Implementation of dynamical nucleation theory effective fragment potentials method for modeling aerosol chemistryAjitha Devarajan, Theresa L Windus, Mark S Gordon
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|September 6, 2006
The role of axial ligands for the structure and function of chlorophyllsJimmy Heimdal, Kasper P Jensen, Ajitha Devarajan, et al.
The Journal of Physical Chemistry. A|June 23, 2006
Structural and photoluminescence properties of excited state intramolecular proton transfer capable compounds-potential emissive and electron transport materialsAlexander V Gaenko, Ajitha Devarajan, Igor V Tselinskii, et al.
The Journal of Physical Chemistry. A|July 14, 2006
Spectral and density functional studies on the absorbance and fluorescence spectra of 2-R-5-phenyl-1,3,4-oxadiazoles and their conjugate acidsAlexander V Gaenko, Ajitha Devarajan, Rostislav E Trifonov, et al.
The Journal of Physical Chemistry. A|February 15, 2008
Generalized van Vleck perturbation theory (GVVPT2) study of the excited states of benzene and the azabenzenesAjitha Devarajan, Alexander V Gaenko, Yuri G Khait, et al.
The Journal of Chemical Physics|June 14, 2013
Evaluation of coarse-grained mapping schemes for polysaccharide chains in celluloseSergiy Markutsya, Ajitha Devarajan, John Y Baluyut, et al.
The Journal of Physical Chemistry. B|August 14, 2013
Ab initio study of molecular interactions in cellulose IαAjitha Devarajan, Sergiy Markutsya, Monica H Lamm, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|May 27, 2009
Two-component relativistic density functional method for computing nonsingular complex linear response of molecules based on the zeroth order regular approximationAjitha Devarajan, Alexander Gaenko, Jochen Autschbach
Journal of Inorganic Biochemistry|March 12, 2008
Effect of covalent links on the structure, spectra, and redox properties of myeloperoxidase--a density functional studyAjitha Devarajan, Alexander V Gaenko, Ulf Ryde
The Journal of Physical Chemistry. A|October 18, 2011
Implementation of dynamical nucleation theory effective fragment potentials method for modeling aerosol chemistryAjitha Devarajan, Theresa L Windus, Mark S Gordon
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|September 6, 2006
The role of axial ligands for the structure and function of chlorophyllsJimmy Heimdal, Kasper P Jensen, Ajitha Devarajan, et al.
The Journal of Physical Chemistry. A|June 23, 2006
Structural and photoluminescence properties of excited state intramolecular proton transfer capable compounds-potential emissive and electron transport materialsAlexander V Gaenko, Ajitha Devarajan, Igor V Tselinskii, et al.
The Journal of Physical Chemistry. A|July 14, 2006
Spectral and density functional studies on the absorbance and fluorescence spectra of 2-R-5-phenyl-1,3,4-oxadiazoles and their conjugate acidsAlexander V Gaenko, Ajitha Devarajan, Rostislav E Trifonov, et al.
The Journal of Physical Chemistry. A|February 15, 2008
Generalized van Vleck perturbation theory (GVVPT2) study of the excited states of benzene and the azabenzenesAjitha Devarajan, Alexander V Gaenko, Yuri G Khait, et al.
The Journal of Chemical Physics|June 14, 2013
Evaluation of coarse-grained mapping schemes for polysaccharide chains in celluloseSergiy Markutsya, Ajitha Devarajan, John Y Baluyut, et al.
The Journal of Physical Chemistry. B|August 14, 2013
Ab initio study of molecular interactions in cellulose IαAjitha Devarajan, Sergiy Markutsya, Monica H Lamm, et al.
Pageof 1