E-LIB Suche - Ergebnisse für: Dasgupta, Saswata

1

Eliminating Imaginary Vibrational Frequencies in Quantum-Ch..:

Bowling, Paige E. ; Dasgupta, Saswata ; Herbert, John M.
Journal of Chemical Information and Modeling. 64 (2024) 9 - p. 3912-3922 , 2024

Link: https://doi.org/10.1021/..

2

Excited State Rotational Freedom Impacts Viscosity Sensitiv..:

Ehrlich, Rachel S. ; Dasgupta, Saswata ; Jessup, R. Erin...
The Journal of Physical Chemistry B. 128 (2024) 16 - p. 3946-3952 , 2024

Link: https://doi.org/10.1021/..

3

Balance between Physical Interpretability and Energetic Pre..:

Dasgupta, Saswata ; Palos, Etienne ; Pan, Yuanhui.
Journal of Chemical Theory and Computation. , 2023

Link: https://doi.org/10.1021/..

4

Interpreting the Hi 21-cm cosmology maps through Largest Cl..:

Dasgupta, Saswata ; Pal, Samit Kumar ; Bag, Satadru...
Journal of Cosmology and Astroparticle Physics. 2023 (2023) 5 - p. 014 , 2023

Link: https://doi.org/10.1088/..

5

Distinguishing reionization models using the largest cluste..:

Pathak, Aadarsh ; Bag, Satadru ; Dasgupta, Saswata...
Journal of Cosmology and Astroparticle Physics. 2022 (2022) 11 - p. 027 , 2022

Link: https://doi.org/10.1088/..

6

How Good Is the Density-Corrected SCAN Functional for Neutr..:

Dasgupta, Saswata ; Shahi, Chandra ; Bhetwal, Pradeep..
Journal of Chemical Theory and Computation. 18 (2022) 8 - p. 4745-4761 , 2022

Link: https://doi.org/10.1021/..

7

Density functional theory of water with the machine-learned..:

Palos, Etienne ; Lambros, Eleftherios ; Dasgupta, Saswata.
The Journal of Chemical Physics. 156 (2022) 16 - p. , 2022

Link: https://doi.org/10.1063/..

8

Assessing the Interplay between Functional-Driven and Densi..:

Palos, Etienne ; Lambros, Eleftherios ; Swee, Steven...
Journal of Chemical Theory and Computation. 18 (2022) 6 - p. 3410-3426 , 2022

Link: https://doi.org/10.1021/..

9

General Many-Body Framework for Data-Driven Potentials with..:

Lambros, Eleftherios ; Dasgupta, Saswata ; Palos, Etienne...
Journal of Chemical Theory and Computation. 17 (2021) 9 - p. 5635-5650 , 2021

Link: https://doi.org/10.1021/..

10

Elevating density functional theory to chemical accuracy fo..:

Dasgupta, Saswata ; Lambros, Eleftherios ; Perdew, John P..
Nature Communications. 12 (2021) 1 - p. , 2021

Link: https://doi.org/10.1038/..

11

Ab InitioApproach to Femtosecond Stimulated Raman Spectrosc..:

Dasgupta, Saswata ; Herbert, John M.
The Journal of Physical Chemistry A. 124 (2020) 31 - p. 6356-6362 , 2020

Link: https://doi.org/10.1021/..

12

Using Atomic Confining Potentials for Geometry Optimization..:

Dasgupta, Saswata ; Herbert, John M.
The Journal of Physical Chemistry B. 124 (2020) 7 - p. 1137-1147 , 2020

Link: https://doi.org/10.1021/..

13

Ab Initio Investigation of the Resonance Raman Spectrum of ..:

Dasgupta, Saswata ; Rana, Bhaskar ; Herbert, John M.
The Journal of Physical Chemistry B. 123 (2019) 38 - p. 8074-8085 , 2019

Link: https://doi.org/10.1021/..

14

Standard grids for high‐precision integration of modern den..:

Dasgupta, Saswata ; Herbert, John M.
Journal of Computational Chemistry. 38 (2017) 12 - p. 869-882 , 2017

Link: https://doi.org/10.1002/..

15

Dynamic Referencing Data Warehouse Employing Proposed Time ..:

, In: Proceedings of the ACM Symposium on Women in Research 2016,

Chowdhury, Rajdeep ; Khan, Jenifar ; Sengupta, Subham... - p. 142-149 , 2016

Link: https://dl.acm.org/doi/1..