Search research articles
Contact Us
Filters
Showing results (41-50 of 127) with videos related to
Page
of 13
Sort By:
The Journal of Chemical Physics
|
December 3, 2008
Calculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: convergence studies
Subrata Banik, Sourav Pal, M Durga Prasad
Journal of Chemical Theory and Computation
|
November 22, 2015
Performance of the EOMIP-CCSD(2) Method for Determining the Structure and Properties of Doublet Radicals: A Benchmark Investigation
Achintya Kumar Dutta, Nayana Vaval, Sourav Pal
Journal of Chemical Theory and Computation
|
November 24, 2015
NOx Catalyzed Pathway of Stratospheric Ozone Depletion: A Coupled Cluster Investigation
Achintya Kumar Dutta, Nayana Vaval, Sourav Pal
Physical Chemistry Chemical Physics : PCCP
|
July 6, 2010
CDASE--a reliable scheme to explain the reactivity sequence between Diels-Alder pairs
Soumen Saha, Ram Kinkar Roy, Sourav Pal
International Journal of Molecular Sciences
|
August 27, 2021
Three-Body Excitations in Fock-Space Coupled-Cluster: Fourth Order Perturbation Correction to Electron Affinity and Its Relation to Bondonic Formalism
Suhita Basumallick, Mihai V Putz, Sourav Pal
The Journal of Physical Chemistry. A
|
September 27, 2013
Critical study of the charge transfer parameter for the calculation of interaction energy using the local hard-soft acid-base principle
Susanta Das, Sapana V Shedge, Sourav Pal
Journal of Chemical Theory and Computation
|
December 3, 2015
Density Functional Static Dipole Polarizability and First-Hyperpolarizability Calculations of Nan (n = 2, 4, 6, 8) Clusters Using an Approximate CPKS Method and its Comparison with MP2 Calculations
K B Sophy, Patrizia Calaminici, Sourav Pal
The Journal of Chemical Physics
|
February 2, 2015
A new scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: theory, implementation, and examples
Achintya Kumar Dutta, Nayana Vaval, Sourav Pal
Journal of Chemical Theory and Computation
|
December 1, 2015
Calculation of Dipole Transition Matrix Elements and Expectation Values by Vibrational Coupled Cluster Method
Subrata Banik, Sourav Pal, M Durga Prasad
International Journal of Molecular Sciences
|
September 2, 2020
Fock-Space Coupled Cluster Theory: Systematic Study of Partial Fourth Order Triples Schemes for Ionization Potential and Comparison with Bondonic Formalism
Suhita Basumallick, Sourav Pal, Mihai V Putz
Page
of 13
Search research articles
Search
Showing results (41-50 of 127) with videos related to
Sort By:
Page
of 13
The Journal of Chemical Physics
|
December 3, 2008
Calculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: convergence studies
Subrata Banik, Sourav Pal, M Durga Prasad
Journal of Chemical Theory and Computation
|
November 22, 2015
Performance of the EOMIP-CCSD(2) Method for Determining the Structure and Properties of Doublet Radicals: A Benchmark Investigation
Achintya Kumar Dutta, Nayana Vaval, Sourav Pal
Journal of Chemical Theory and Computation
|
November 24, 2015
NOx Catalyzed Pathway of Stratospheric Ozone Depletion: A Coupled Cluster Investigation
Achintya Kumar Dutta, Nayana Vaval, Sourav Pal
Physical Chemistry Chemical Physics : PCCP
|
July 6, 2010
CDASE--a reliable scheme to explain the reactivity sequence between Diels-Alder pairs
Soumen Saha, Ram Kinkar Roy, Sourav Pal
International Journal of Molecular Sciences
|
August 27, 2021
Three-Body Excitations in Fock-Space Coupled-Cluster: Fourth Order Perturbation Correction to Electron Affinity and Its Relation to Bondonic Formalism
Suhita Basumallick, Mihai V Putz, Sourav Pal
The Journal of Physical Chemistry. A
|
September 27, 2013
Critical study of the charge transfer parameter for the calculation of interaction energy using the local hard-soft acid-base principle
Susanta Das, Sapana V Shedge, Sourav Pal
Journal of Chemical Theory and Computation
|
December 3, 2015
Density Functional Static Dipole Polarizability and First-Hyperpolarizability Calculations of Nan (n = 2, 4, 6, 8) Clusters Using an Approximate CPKS Method and its Comparison with MP2 Calculations
K B Sophy, Patrizia Calaminici, Sourav Pal
The Journal of Chemical Physics
|
February 2, 2015
A new scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: theory, implementation, and examples
Achintya Kumar Dutta, Nayana Vaval, Sourav Pal
Journal of Chemical Theory and Computation
|
December 1, 2015
Calculation of Dipole Transition Matrix Elements and Expectation Values by Vibrational Coupled Cluster Method
Subrata Banik, Sourav Pal, M Durga Prasad
International Journal of Molecular Sciences
|
September 2, 2020
Fock-Space Coupled Cluster Theory: Systematic Study of Partial Fourth Order Triples Schemes for Ionization Potential and Comparison with Bondonic Formalism
Suhita Basumallick, Sourav Pal, Mihai V Putz
Page
of 13