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The Journal of Physical Chemistry. A
|
January 20, 2022
Performance of Vibrational Self-Consistent Field Theory for Accurate Potential Energy Surfaces: Fundamentals, Excited States, and Intensities
Tapta Kanchan Roy
Physical Chemistry Chemical Physics : PCCP
|
May 7, 2026
Hybrid quartic force fields with atom-specific basis sets: an efficient route to calculate anharmonic vibrational spectra
Mokshi Sharma, Tapta Kanchan Roy
Physical Chemistry Chemical Physics : PCCP
|
October 17, 2025
A reduced-parameter variational strategy for accelerated evaluation of thermal density matrices <i>via</i> quantum effective harmonic oscillators approach
Mokshi Sharma, Tapta Kanchan Roy
The Journal of Physical Chemistry. A
|
October 23, 2020
Comprehensive Benchmark Results for the Accuracy of Basis Sets for Anharmonic Molecular Vibrations
Hrishit Mitra, Tapta Kanchan Roy
Physical Chemistry Chemical Physics : PCCP
|
August 5, 2025
Deciphering the interplay of different electronic and vibrational structure theory parameters for the computation of anharmonic molecular vibrations
Dhiksha Sharma, Tapta Kanchan Roy
The Journal of Physical Chemistry. A
|
August 21, 2023
Accuracy of Different Electronic Basis Set Families for Anharmonic Molecular Vibrations: A Comprehensive Benchmark Study
Dhiksha Sharma, Tapta Kanchan Roy
The Journal of Chemical Physics
|
June 14, 2011
Development of a new variational approach for thermal density matrices
Tapta Kanchan Roy, M Durga Prasad
Journal of Chemical Theory and Computation
|
September 29, 2020
Dual Basis Approach for Ab Initio Anharmonic Calculations of Vibrational Spectroscopy: Application to Microsolvated Biomolecules
Tapta Kanchan Roy, R Benny Gerber
The Journal of Chemical Physics
|
September 26, 2009
A thermal self-consistent field theory for the calculation of molecular vibrational partition functions
Tapta Kanchan Roy, M Durga Prasad
Physical Chemistry Chemical Physics : PCCP
|
May 17, 2013
Vibrational self-consistent field calculations for spectroscopy of biological molecules: new algorithmic developments and applications
Tapta Kanchan Roy, R Benny Gerber
Page
of 3
Search research articles
Search
Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. A
|
January 20, 2022
Performance of Vibrational Self-Consistent Field Theory for Accurate Potential Energy Surfaces: Fundamentals, Excited States, and Intensities
Tapta Kanchan Roy
Physical Chemistry Chemical Physics : PCCP
|
May 7, 2026
Hybrid quartic force fields with atom-specific basis sets: an efficient route to calculate anharmonic vibrational spectra
Mokshi Sharma, Tapta Kanchan Roy
Physical Chemistry Chemical Physics : PCCP
|
October 17, 2025
A reduced-parameter variational strategy for accelerated evaluation of thermal density matrices <i>via</i> quantum effective harmonic oscillators approach
Mokshi Sharma, Tapta Kanchan Roy
The Journal of Physical Chemistry. A
|
October 23, 2020
Comprehensive Benchmark Results for the Accuracy of Basis Sets for Anharmonic Molecular Vibrations
Hrishit Mitra, Tapta Kanchan Roy
Physical Chemistry Chemical Physics : PCCP
|
August 5, 2025
Deciphering the interplay of different electronic and vibrational structure theory parameters for the computation of anharmonic molecular vibrations
Dhiksha Sharma, Tapta Kanchan Roy
The Journal of Physical Chemistry. A
|
August 21, 2023
Accuracy of Different Electronic Basis Set Families for Anharmonic Molecular Vibrations: A Comprehensive Benchmark Study
Dhiksha Sharma, Tapta Kanchan Roy
The Journal of Chemical Physics
|
June 14, 2011
Development of a new variational approach for thermal density matrices
Tapta Kanchan Roy, M Durga Prasad
Journal of Chemical Theory and Computation
|
September 29, 2020
Dual Basis Approach for Ab Initio Anharmonic Calculations of Vibrational Spectroscopy: Application to Microsolvated Biomolecules
Tapta Kanchan Roy, R Benny Gerber
The Journal of Chemical Physics
|
September 26, 2009
A thermal self-consistent field theory for the calculation of molecular vibrational partition functions
Tapta Kanchan Roy, M Durga Prasad
Physical Chemistry Chemical Physics : PCCP
|
May 17, 2013
Vibrational self-consistent field calculations for spectroscopy of biological molecules: new algorithmic developments and applications
Tapta Kanchan Roy, R Benny Gerber
Page
of 3