Golokesh Santra, Ph.D - Publications
Affiliations: | 2018-2023 | Molecular Chemistry and Materials Science | Weizmann Institute of Science, Rehovot, Israel |
| 2023- | Molecular Theory and Spectroscopy | Max Planck Institute for Coal Research, Mülheim an der Ruhr, Nordrhein-Westfalen, Germany |
Area:
Computational Chemistry| Year | Citation | Score | |||
|---|---|---|---|---|---|
| 2022 | Santra G, Martin JML. Performance of Localized-Orbital Coupled-Cluster Approaches for the Conformational Energies of Longer -Alkane Chains. The Journal of Physical Chemistry. A. 126: 9375-9391. PMID 36508714 DOI: 10.1021/acs.jpca.2c06407 | 0.474 | |||
| 2022 | Santra G, Semidalas E, Mehta N, Karton A, Martin JML. S66x8 noncovalent interactions revisited: new benchmark and performance of composite localized coupled-cluster methods. Physical Chemistry Chemical Physics : Pccp. 24: 25555-25570. PMID 36254677 DOI: 10.1039/d2cp03938a | 0.351 | |||
| 2021 | Santra G, Semidalas E, Martin JML. Surprisingly Good Performance of XYG3 Family Functionals Using a Scaled KS-MP3 Correlation. The Journal of Physical Chemistry Letters. 9368-9376. PMID 34550706 DOI: 10.1021/acs.jpclett.1c02838 | 0.305 | |||
| 2021 | Santra G, Semidalas E, Martin JML. Exploring Avenues beyond Revised DSD Functionals: II. Random-Phase Approximation and Scaled MP3 Corrections. The Journal of Physical Chemistry. A. 125: 4628-4638. PMID 34019413 DOI: 10.1021/acs.jpca.1c01295 | 0.308 | |||
| 2020 | Woller T, Banerjee A, Sylvetsky N, Santra G, Deraet X, De Proft F, Martin JML, Alonso M. Performance of Electronic Structure Methods for the Description of Hückel-Möbius Interconversions in Extended π-Systems. The Journal of Physical Chemistry. A. PMID 32093467 DOI: 10.1021/Acs.Jpca.9B10880 | 0.386 | |||
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