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Physical Chemistry Chemical Physics : PCCP
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November 22, 2024
Vibrational mode tailoring approach: an efficient route to compute anharmonic molecular vibrations of large molecules
Hrishit Mitra, Dhiksha Sharma, Tapta Kanchan Roy
The Journal of Physical Chemistry. A
|
January 19, 2025
Accelerating Quantum Anharmonic Vibrational Calculations by Atom-Specific Hybrid Basis Set-Based Potential Energy Surface Approach
Mokshi Sharma, Dhiksha Sharma, Tapta Kanchan Roy
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
Physical Chemistry Chemical Physics : PCCP
|
December 18, 2015
First-principles anharmonic quantum calculations for peptide spectroscopy: VSCF calculations and comparison with experiments
Tapta Kanchan Roy, Rahul Sharma, R Benny Gerber
The Journal of Physical Chemistry. A
|
July 1, 2014
Approximate first-principles anharmonic calculations of polyatomic spectra using MP2 and B3LYP potentials: comparisons with experiment
Tapta Kanchan Roy, Tucker Carrington, R Benny Gerber
The Journal of Physical Chemistry. A
|
November 2, 2017
A Decapeptide Hydrated by Two Waters: Conformers Determined by Theory and Validated by Cold Ion Spectroscopy
Tapta Kanchan Roy, Natalia S Nagornova, Oleg V Boyarkin, et al.
Inorganica Chimica Acta
|
October 23, 2018
Azo-dyes based small bifunctional molecules for metal chelation and controlling amyloid formation
Monika Rana, Hong-Jun Cho, Tapta Kanchan Roy, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2018
Intrinsic structure of pentapeptide Leu-enkephalin: geometry optimization and validation by comparison of VSCF-PT2 calculations with cold ion spectroscopy
Tapta Kanchan Roy, Vladimir Kopysov, Aleksandr Pereverzev, et al.
Organic & Biomolecular Chemistry
|
February 15, 2014
A highly efficient in situ N-acetylation approach for solid phase synthesis
Koushik Chandra, Tapta Kanchan Roy, Johnny N Naoum, et al.
Biopolymers
|
April 8, 2015
Mechanistic studies of malonic acid-mediated in situ acylation
Koushik Chandra, Johnny N Naoum, Tapta Kanchan Roy, et al.
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Showing results (11-20 of 25) with videos related to
Sort By:
Page
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Physical Chemistry Chemical Physics : PCCP
|
November 22, 2024
Vibrational mode tailoring approach: an efficient route to compute anharmonic molecular vibrations of large molecules
Hrishit Mitra, Dhiksha Sharma, Tapta Kanchan Roy
The Journal of Physical Chemistry. A
|
January 19, 2025
Accelerating Quantum Anharmonic Vibrational Calculations by Atom-Specific Hybrid Basis Set-Based Potential Energy Surface Approach
Mokshi Sharma, Dhiksha Sharma, Tapta Kanchan Roy
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
Physical Chemistry Chemical Physics : PCCP
|
December 18, 2015
First-principles anharmonic quantum calculations for peptide spectroscopy: VSCF calculations and comparison with experiments
Tapta Kanchan Roy, Rahul Sharma, R Benny Gerber
The Journal of Physical Chemistry. A
|
July 1, 2014
Approximate first-principles anharmonic calculations of polyatomic spectra using MP2 and B3LYP potentials: comparisons with experiment
Tapta Kanchan Roy, Tucker Carrington, R Benny Gerber
The Journal of Physical Chemistry. A
|
November 2, 2017
A Decapeptide Hydrated by Two Waters: Conformers Determined by Theory and Validated by Cold Ion Spectroscopy
Tapta Kanchan Roy, Natalia S Nagornova, Oleg V Boyarkin, et al.
Inorganica Chimica Acta
|
October 23, 2018
Azo-dyes based small bifunctional molecules for metal chelation and controlling amyloid formation
Monika Rana, Hong-Jun Cho, Tapta Kanchan Roy, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2018
Intrinsic structure of pentapeptide Leu-enkephalin: geometry optimization and validation by comparison of VSCF-PT2 calculations with cold ion spectroscopy
Tapta Kanchan Roy, Vladimir Kopysov, Aleksandr Pereverzev, et al.
Organic & Biomolecular Chemistry
|
February 15, 2014
A highly efficient in situ N-acetylation approach for solid phase synthesis
Koushik Chandra, Tapta Kanchan Roy, Johnny N Naoum, et al.
Biopolymers
|
April 8, 2015
Mechanistic studies of malonic acid-mediated in situ acylation
Koushik Chandra, Johnny N Naoum, Tapta Kanchan Roy, et al.
Page
of 3