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The Journal of Chemical Physics
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November 10, 2009
Cumulant decomposition of reduced density matrices, multireference normal ordering, and Wicks theorem: A spin-free approach
K R Shamasundar
The Journal of Physical Chemistry. A
|
June 10, 2025
Photochemical Pathways of Formaldonitrone: Quantum Chemical Calculations and Excited State Dynamics Simulations
Satyam Ravi, K R Shamasundar
The Journal of Chemical Physics
|
July 23, 2004
A constrained variational approach for energy derivatives in Fock-space multireference coupled-cluster theory
K R Shamasundar, Subashini Asokan, Sourav Pal
The Journal of Physical Chemistry. A
|
September 3, 2021
Potential Energy Curves of Molecular Nitrogen for Singly and Doubly Ionized States with Core and Valence Holes
Debarati Bhattacharya, K R Shamasundar, Agapi Emmanouilidou
The Journal of Chemical Physics
|
February 12, 2015
Charge symmetric dissociation of doubly ionized N2 and CO molecules
A Pandey, B Bapat, K R Shamasundar
The Journal of Chemical Physics
|
August 10, 2011
A new internally contracted multi-reference configuration interaction method
K R Shamasundar, Gerald Knizia, Hans-Joachim Werner
The Journal of Chemical Physics
|
March 26, 2009
State specific equation of motion coupled cluster method in general active space
Liguo Kong, K R Shamasundar, Ondrej Demel, et al.
The Journal of Physical Chemistry. A
|
October 30, 2008
Application of double ionization state-specific equation of motion coupled cluster method to organic diradicals
Ondrej Demel, K R Shamasundar, Liguo Kong, et al.
The Journal of Physical Chemistry. A
|
January 20, 2022
Photochemistry of 3,6-Didehydropyridazine Biradical─An Untraceable <i>Para</i> Benzyne Analogue
Mayank Saraswat, Satyam Ravi, K R Shamasundar, et al.
The Journal of Physical Chemistry. A
|
August 25, 2023
High-Spin Blatter's Triradicals
Rishu Khurana, Ashima Bajaj, K R Shamasundar, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
November 10, 2009
Cumulant decomposition of reduced density matrices, multireference normal ordering, and Wicks theorem: A spin-free approach
K R Shamasundar
The Journal of Physical Chemistry. A
|
June 10, 2025
Photochemical Pathways of Formaldonitrone: Quantum Chemical Calculations and Excited State Dynamics Simulations
Satyam Ravi, K R Shamasundar
The Journal of Chemical Physics
|
July 23, 2004
A constrained variational approach for energy derivatives in Fock-space multireference coupled-cluster theory
K R Shamasundar, Subashini Asokan, Sourav Pal
The Journal of Physical Chemistry. A
|
September 3, 2021
Potential Energy Curves of Molecular Nitrogen for Singly and Doubly Ionized States with Core and Valence Holes
Debarati Bhattacharya, K R Shamasundar, Agapi Emmanouilidou
The Journal of Chemical Physics
|
February 12, 2015
Charge symmetric dissociation of doubly ionized N2 and CO molecules
A Pandey, B Bapat, K R Shamasundar
The Journal of Chemical Physics
|
August 10, 2011
A new internally contracted multi-reference configuration interaction method
K R Shamasundar, Gerald Knizia, Hans-Joachim Werner
The Journal of Chemical Physics
|
March 26, 2009
State specific equation of motion coupled cluster method in general active space
Liguo Kong, K R Shamasundar, Ondrej Demel, et al.
The Journal of Physical Chemistry. A
|
October 30, 2008
Application of double ionization state-specific equation of motion coupled cluster method to organic diradicals
Ondrej Demel, K R Shamasundar, Liguo Kong, et al.
The Journal of Physical Chemistry. A
|
January 20, 2022
Photochemistry of 3,6-Didehydropyridazine Biradical─An Untraceable <i>Para</i> Benzyne Analogue
Mayank Saraswat, Satyam Ravi, K R Shamasundar, et al.
The Journal of Physical Chemistry. A
|
August 25, 2023
High-Spin Blatter's Triradicals
Rishu Khurana, Ashima Bajaj, K R Shamasundar, et al.
Page
of 2