Nitai Sylvetsky

Weizmann Institute of Science — Israel

Physics and Astronomy · Physical Sciences

11h-index1.2kcitations35works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(11), Crystallography and molecular interactions(8), Advanced NMR Techniques and Applications(6), Machine Learning in Materials Science(6), Electron Spin Resonance Studies(6)

Publications35 total

Energetics of (H2O)20 isomers by means of F12 canonical and localized coupled cluster methods
AIP conference proceedings·2021· 5 citedOpen Access
Toward Simple, Predictive Understanding of Protein-Ligand Interactions: Electronic Structure Calculations on Torpedo Californica Acetylcholinesterase Join Forces with the Chemist’s Intuition
Scientific Reports·2020· 14 citedOpen Access
Performance of Localized Coupled Cluster Methods in a Moderately Strong Correlation Regime: Hückel–Möbius Interconversions in Expanded Porphyrins
Journal of Chemical Theory and Computation·2020· 52 citedOpen Access
2019-nCoV vs. SARS-CoV: Which Truly Has a Higher ACE2 Affinity? A Quantum Chemical Perspective on Virus-Receptor Noncovalent Interactions
2020Open Access
2019-nCoV vs. SARS-CoV: Which Truly Has a Higher ACE2 Affinity? A Quantum Chemical Perspective on Virus-Receptor Noncovalent Interactions
2020Open Access
Toward Simple, Predictive Understanding of Protein-Ligand Interactions: Electronic Structure Calculations Join Forces with the Chemist’s Intuition
2020Open Access
Toward Simple, Predictive Understanding of Protein-Ligand Interactions: Electronic Structure Calculations Join Forces with the Chemist’s Intuition
2020Open Access
Performance of Electronic Structure Methods for the Description of Hückel–Möbius Interconversions in Extended π-Systems
The Journal of Physical Chemistry A·2020· 28 citedOpen Access
The Atomic Partial Charges Arboretum: Trying to See the Forest for the Trees
ChemPhysChem·2020· 101 citedOpen Access
Energetics of Large Water Clusters [up to (H2O)20] by means of Explicitly Correlated, Localized Coupled Cluster Methods
arXiv (Cornell University)·2020Open Access
Performance of Electronic Structure Methods for the Description of Hückel-Möbius Interconversions in Extended π-Systems
2019Open Access
Performance of Electronic Structure Methods for the Description of Hückel-Möbius Interconversions in Extended π-Systems
2019Open Access
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·2019· 446 citedOpen Access
Minimally Empirical Double Hybrid Functionals Trained Against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4
2019· 8 citedOpen Access
Minimally Empirical Double Hybrid Functionals Trained Against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4
2019· 8 citedOpen Access
Minimally Empirical Double Hybrid Functionals Trained Against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4
2019· 17 citedOpen Access
Minimally Empirical Double Hybrid Functionals Trained Against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4
2019· 1 citedOpen Access
Minimally Empirical Double Hybrid Functionals Trained Against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4
2019· 1 citedOpen Access
Probing the Basis Set Limit for Thermochemical Contributions of Inner-Shell Correlation: Balance of Core-Core and Core-Valence Contributions
2018Open Access
Probing the Basis Set Limit for Thermochemical Contributions of Inner-Shell Correlation: Balance of Core-Core and Core-Valence Contributions
2018· 1 citedOpen Access
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Frequent Co-authors

Jan M. L. Martin(30), Manoj K. Kesharwani(12), Golokesh Santra(8), Amir Karton(5), Debashree Manna(5), Ambar Banerjee(4), Mercedes Alonso(4), Xavier Deraet(3), Frank De Proft(3), Andreas Köhn(2), David P. Tew(2), Tatiana Woller(2), Kirk A. Peterson(1), Minsik Cho(1), Sarah Eshafi(1), Irena Efremenko(1), Tatiana Woller(1)