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The Journal of Physical Chemistry. A
|
August 13, 2025
Exploring the Accuracy of Density Functionals for Anharmonic Vibrations of Polycyclic Aromatic Hydrocarbons
Nivedhitha Palanisamy, Subrata Banik
Physical Chemistry Chemical Physics : PCCP
|
July 18, 2023
An approximation to the vibrational coupled-cluster method for CH-stretching of large molecules: application to naphthalene and anthracene
Nivedhitha Palanisamy, Subrata Banik
Physical Chemistry Chemical Physics : PCCP
|
October 30, 2018
Anomalous description of the anharmonicity of bending motions of carbon-carbon double bonded molecules with the MP2 method: ethylene as a case study
Lalitha Ravichandran, Subrata Banik
The Journal of Physical Chemistry. A
|
October 20, 2021
Investigation of the Failure of the MP2 Method to Describe the Out-of-Plane Bending Motions of Carbon-Carbon Double-Bonded Molecules: The Role of Atomic Orbitals
Lalitha Ravichandran, Subrata Banik
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
The Journal of Physical Chemistry. A
|
December 16, 2016
Anharmonicity in the Vibrational Spectra of Naphthalene and Naphthalene-d<sub>8</sub>: Experiment and Theory
Shubhadip Chakraborty, Subrata Banik, Puspendu K Das
The Journal of Chemical Physics
|
September 25, 2012
Vibrational multi-reference coupled cluster theory in bosonic representation
Subrata Banik, Sourav Pal, M Durga Prasad
Physical Chemistry Chemical Physics : PCCP
|
April 22, 2021
Understanding of the C-H stretch region of infra-red spectroscopy: an analysis of the final state wavefunctions
Swati Yadav, Subrata Banik, M Durga Prasad
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
The Journal of Physical Chemistry. A
|
July 9, 2024
Performance of Effective Harmonic Oscillator Approach for the Calculations of Vibrational Transition Energies of Large Molecules
Mokshi Sharma, Subrata Banik, Tapta Kanchan Roy
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of 4
Search research articles
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Showing results (1-10 of 31) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry. A
|
August 13, 2025
Exploring the Accuracy of Density Functionals for Anharmonic Vibrations of Polycyclic Aromatic Hydrocarbons
Nivedhitha Palanisamy, Subrata Banik
Physical Chemistry Chemical Physics : PCCP
|
July 18, 2023
An approximation to the vibrational coupled-cluster method for CH-stretching of large molecules: application to naphthalene and anthracene
Nivedhitha Palanisamy, Subrata Banik
Physical Chemistry Chemical Physics : PCCP
|
October 30, 2018
Anomalous description of the anharmonicity of bending motions of carbon-carbon double bonded molecules with the MP2 method: ethylene as a case study
Lalitha Ravichandran, Subrata Banik
The Journal of Physical Chemistry. A
|
October 20, 2021
Investigation of the Failure of the MP2 Method to Describe the Out-of-Plane Bending Motions of Carbon-Carbon Double-Bonded Molecules: The Role of Atomic Orbitals
Lalitha Ravichandran, Subrata Banik
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
The Journal of Physical Chemistry. A
|
December 16, 2016
Anharmonicity in the Vibrational Spectra of Naphthalene and Naphthalene-d<sub>8</sub>: Experiment and Theory
Shubhadip Chakraborty, Subrata Banik, Puspendu K Das
The Journal of Chemical Physics
|
September 25, 2012
Vibrational multi-reference coupled cluster theory in bosonic representation
Subrata Banik, Sourav Pal, M Durga Prasad
Physical Chemistry Chemical Physics : PCCP
|
April 22, 2021
Understanding of the C-H stretch region of infra-red spectroscopy: an analysis of the final state wavefunctions
Swati Yadav, Subrata Banik, M Durga Prasad
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
The Journal of Physical Chemistry. A
|
July 9, 2024
Performance of Effective Harmonic Oscillator Approach for the Calculations of Vibrational Transition Energies of Large Molecules
Mokshi Sharma, Subrata Banik, Tapta Kanchan Roy
Page
of 4