Search research articles
Contact Us
Filters
Showing results (1-10 of 9) with videos related to
Page
of 1
Sort By:
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 approximation
Ajitha 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 study
Ajitha 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 chemistry
Ajitha 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 chlorophylls
Jimmy 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 materials
Alexander 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 acids
Alexander 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 azabenzenes
Ajitha 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 cellulose
Sergiy 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 Iα
Ajitha Devarajan, Sergiy Markutsya, Monica H Lamm, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 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 approximation
Ajitha 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 study
Ajitha 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 chemistry
Ajitha 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 chlorophylls
Jimmy 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 materials
Alexander 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 acids
Alexander 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 azabenzenes
Ajitha 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 cellulose
Sergiy 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 Iα
Ajitha Devarajan, Sergiy Markutsya, Monica H Lamm, et al.
Page
of 1