☰

Golokesh Santra - Publications

Affiliations: 
Weizmann Institute of Science, Rehovot, Israel 
Area:
Computational Chemistry
Tree Info Similar researchers PubMed Report error

3/16 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

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  0.817
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  0.309
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  0.5
Low-probability matches (unlikely to be authored by this person)
2021 Santra G, Martin JML. What Types of Chemical Problems Benefit from Density-Corrected DFT? A Probe Using an Extensive and Chemically Diverse Test Suite. Journal of Chemical Theory and Computation. PMID 33625863 DOI: 10.1021/acs.jctc.0c01055  0.293
2019 Santra G, Sylvetsky N, Martin JML. Minimally Empirical Double Hybrid Functionals Trained Against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4. The Journal of Physical Chemistry. A. PMID 31136709 DOI: 10.1021/Acs.Jpca.9B03157  0.271
2021 Santra G, Cho M, Martin JML. Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with DSD as a Special Case. The Journal of Physical Chemistry. A. PMID 34009986 DOI: 10.1021/acs.jpca.1c01294  0.265
2021 Santra G, Martin JML. Pure and Hybrid SCAN, rSCAN, and rSCAN: Which One Is Preferred in KS- and HF-DFT Calculations, and How Does D4 Dispersion Correction Affect This Ranking? Molecules (Basel, Switzerland). 27. PMID 35011372 DOI: 10.3390/molecules27010141  0.264
2023 Becke AD, Santra G, Martin JML. A double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database. The Journal of Chemical Physics. 158. PMID 37094004 DOI: 10.1063/5.0141238  0.252
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  0.24
2022 Santra G, Martin JML. Do Double-Hybrid Functionals Benefit from Regularization in the PT2 Term? Observations from an Extensive Benchmark. The Journal of Physical Chemistry Letters. 13: 3499-3506. PMID 35417181 DOI: 10.1021/acs.jpclett.2c00718  0.187
2022 Santra G, Calinsky R, Martin JML. Benefits of Range-Separated Hybrid and Double-Hybrid Functionals for a Large and Diverse Data Set of Reaction Energies and Barrier Heights. The Journal of Physical Chemistry. A. 126: 5492-5505. PMID 35930677 DOI: 10.1021/acs.jpca.2c03922  0.173
2020 Martin JML, Santra G. Empirical Double-Hybrid Density Functional Theory: A 'Third Way' In Between WFT and DFT Israel Journal of Chemistry. 60: 787-804. DOI: 10.1002/ijch.201900114  0.125
2020 Cho M, Sylvetsky N, Eshafi S, Santra G, Efremenko I, Martin JML. The Atomic Partial Charges Arboretum: Trying to See the Forest for the Trees. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 32052532 DOI: 10.1002/Cphc.202000040  0.12
2024 Santra G, Cho M, Martin JML. Correction to "Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with xDSD as a Special Case". The Journal of Physical Chemistry. A. PMID 38291588 DOI: 10.1021/acs.jpca.4c00309  0.105
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  0.095
2019 Martin JML, Santra G. Empirical Double‐Hybrid Density Functional Theory: A ‘Third Way’ in Between WFT and DFT Israel Journal of Chemistry. 60: 787-804. DOI: 10.1002/ijch.201900114  0.092
Hide low-probability matches.