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Journal of Chemical Theory and Computation
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November 27, 2015
DFT Calculations on Charge-Transfer States of a Carotenoid-Porphyrin-C60 Molecular Triad
Tunna Baruah, Mark R Pederson
The Journal of Chemical Physics
|
November 10, 2006
Density functional study on a light-harvesting carotenoid-porphyrin-C60 molecular triad
Tunna Baruah, Mark R Pederson
The Journal of Chemical Physics
|
September 4, 2012
Charge transfer excited state energies by perturbative delta self consistent field method
Tunna Baruah, Marco Olguin, Rajendra R Zope
The Journal of Chemical Physics
|
February 8, 2023
Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case study
Selim Romero, Tunna Baruah, Rajendra R Zope
The Journal of Chemical Physics
|
March 1, 2013
Effect of geometrical orientation on the charge-transfer energetics of supramolecular (tetraphenyl)-porphyrin∕C60 dyads
Marco Olguin, Rajendra R Zope, Tunna Baruah
The Journal of Chemical Physics
|
September 4, 2012
Charge transfer excitations in cofacial fullerene-porphyrin complexes
Rajendra R Zope, Marco Olguin, Tunna Baruah
The Journal of Chemical Physics
|
February 22, 2024
How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?
Rajendra R Zope, Yoh Yamamoto, Tunna Baruah
The Journal of Chemical Physics
|
August 13, 2005
Density-functional study of two Fe4-based single-molecule magnets
Jordi Ribas-Arino, Tunna Baruah, Mark R Pederson
Physical Chemistry Chemical Physics : PCCP
|
January 30, 2015
The electronic structure and charge transfer excited states of the endohedral trimetallic nitride C80 (I(h)) fullerenes-Zn-tetraphenyl porphyrin dyads
Luis Basurto, Fatemeh Amerikheirabadi, Rajendra Zope, et al.
Journal of the American Chemical Society
|
July 20, 2006
Toward the control of the magnetic anisotropy of Fe(II) cubes: a DFT study
Jordi Ribas-Arino, Tunna Baruah, Mark R Pederson
Page
of 6
Search research articles
Search
Showing results (1-10 of 51) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
November 27, 2015
DFT Calculations on Charge-Transfer States of a Carotenoid-Porphyrin-C60 Molecular Triad
Tunna Baruah, Mark R Pederson
The Journal of Chemical Physics
|
November 10, 2006
Density functional study on a light-harvesting carotenoid-porphyrin-C60 molecular triad
Tunna Baruah, Mark R Pederson
The Journal of Chemical Physics
|
September 4, 2012
Charge transfer excited state energies by perturbative delta self consistent field method
Tunna Baruah, Marco Olguin, Rajendra R Zope
The Journal of Chemical Physics
|
February 8, 2023
Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case study
Selim Romero, Tunna Baruah, Rajendra R Zope
The Journal of Chemical Physics
|
March 1, 2013
Effect of geometrical orientation on the charge-transfer energetics of supramolecular (tetraphenyl)-porphyrin∕C60 dyads
Marco Olguin, Rajendra R Zope, Tunna Baruah
The Journal of Chemical Physics
|
September 4, 2012
Charge transfer excitations in cofacial fullerene-porphyrin complexes
Rajendra R Zope, Marco Olguin, Tunna Baruah
The Journal of Chemical Physics
|
February 22, 2024
How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?
Rajendra R Zope, Yoh Yamamoto, Tunna Baruah
The Journal of Chemical Physics
|
August 13, 2005
Density-functional study of two Fe4-based single-molecule magnets
Jordi Ribas-Arino, Tunna Baruah, Mark R Pederson
Physical Chemistry Chemical Physics : PCCP
|
January 30, 2015
The electronic structure and charge transfer excited states of the endohedral trimetallic nitride C80 (I(h)) fullerenes-Zn-tetraphenyl porphyrin dyads
Luis Basurto, Fatemeh Amerikheirabadi, Rajendra Zope, et al.
Journal of the American Chemical Society
|
July 20, 2006
Toward the control of the magnetic anisotropy of Fe(II) cubes: a DFT study
Jordi Ribas-Arino, Tunna Baruah, Mark R Pederson
Page
of 6