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Shampa Raghunathan

Showing results (1-10 of 17) with videos related to

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RSC Advances|August 12, 2024
Solvent accessible surface area-assessed molecular basis of osmolyte-induced protein stabilityShampa Raghunathan
Journal of Chemical Theory and Computation|November 26, 2015
Critical Examination of Explicitly Time-Dependent Density Functional Theory for Coherent Control of Dipole SwitchingShampa Raghunathan, Mathias Nest
Journal of Chemical Theory and Computation|November 24, 2015
The Lack of Resonance Problem in Coherent Control with Real-Time Time-Dependent Density Functional TheoryShampa Raghunathan, Mathias Nest
The Journal of Chemical Physics|February 25, 2012
Coherent control and time-dependent density functional theory: towards creation of wave packets by ultrashort laser pulsesShampa Raghunathan, Mathias Nest
The Journal of Physical Chemistry. A|July 28, 2012
Limits of the creation of electronic wave packets using time-dependent density functional theoryShampa Raghunathan, Mathias Nest
Journal of Computational Chemistry|May 14, 2025
Graph Neural Network for 3-Dimensional Structures Including Dihedral Angles for Molecular Property PredictionSri Abhirath Reddy Sangala, Shampa Raghunathan
Biophysical Reviews|February 19, 2020
Urea-aromatic interactions in biologyShampa Raghunathan, Tanashree Jaganade, U Deva Priyakumar
Journal of Physics. Condensed Matter : an Institute of Physics Journal|December 30, 2025
Machine-learned potentials for solvation modelingRoopshree Banchode, Surajit Das, Shampa Raghunathan, et al.
Journal of Chemical Theory and Computation|November 27, 2020
Polarizable Multipolar Molecular Dynamics Using Distributed Point ChargesMike Devereux, Marco Pezzella, Shampa Raghunathan, et al.
The Journal of Physical Chemistry. B|September 21, 2021
SCONES: Self-Consistent Neural Network for Protein Stability Prediction Upon MutationYashas B L Samaga, Shampa Raghunathan, U Deva Priyakumar
Pageof 2

Showing results (1-10 of 17) with videos related to

Sort By:
Pageof 2
RSC Advances|August 12, 2024
Solvent accessible surface area-assessed molecular basis of osmolyte-induced protein stabilityShampa Raghunathan
Journal of Chemical Theory and Computation|November 26, 2015
Critical Examination of Explicitly Time-Dependent Density Functional Theory for Coherent Control of Dipole SwitchingShampa Raghunathan, Mathias Nest
Journal of Chemical Theory and Computation|November 24, 2015
The Lack of Resonance Problem in Coherent Control with Real-Time Time-Dependent Density Functional TheoryShampa Raghunathan, Mathias Nest
The Journal of Chemical Physics|February 25, 2012
Coherent control and time-dependent density functional theory: towards creation of wave packets by ultrashort laser pulsesShampa Raghunathan, Mathias Nest
The Journal of Physical Chemistry. A|July 28, 2012
Limits of the creation of electronic wave packets using time-dependent density functional theoryShampa Raghunathan, Mathias Nest
Journal of Computational Chemistry|May 14, 2025
Graph Neural Network for 3-Dimensional Structures Including Dihedral Angles for Molecular Property PredictionSri Abhirath Reddy Sangala, Shampa Raghunathan
Biophysical Reviews|February 19, 2020
Urea-aromatic interactions in biologyShampa Raghunathan, Tanashree Jaganade, U Deva Priyakumar
Journal of Physics. Condensed Matter : an Institute of Physics Journal|December 30, 2025
Machine-learned potentials for solvation modelingRoopshree Banchode, Surajit Das, Shampa Raghunathan, et al.
Journal of Chemical Theory and Computation|November 27, 2020
Polarizable Multipolar Molecular Dynamics Using Distributed Point ChargesMike Devereux, Marco Pezzella, Shampa Raghunathan, et al.
The Journal of Physical Chemistry. B|September 21, 2021
SCONES: Self-Consistent Neural Network for Protein Stability Prediction Upon MutationYashas B L Samaga, Shampa Raghunathan, U Deva Priyakumar
Pageof 2