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Chemistry (Weinheim an Der Bergstrasse, Germany)
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March 4, 2025
Conformational Profile of Galactose-α-1,3-Galactose (α-Gal) and Structural Basis of Its Immunological Response
Golokesh Santra, Dimitrios A Pantazis
The Journal of Physical Chemistry Letters
|
April 13, 2022
Do Double-Hybrid Functionals Benefit from Regularization in the PT2 Term? Observations from an Extensive Benchmark
Golokesh Santra, Jan M L Martin
The Journal of Physical Chemistry. A
|
December 12, 2022
Performance of Localized-Orbital Coupled-Cluster Approaches for the Conformational Energies of Longer <i>n</i>-Alkane Chains
Golokesh Santra, Jan M L Martin
The Journal of Physical Chemistry. A
|
July 24, 2025
Modified Opposite-Spin-Scaled Double-Hybrid Functionals
Golokesh Santra, Markus Bursch, Lukas Wittmann
Journal of Chemical Theory and Computation
|
February 24, 2021
What Types of Chemical Problems Benefit from Density-Corrected DFT? A Probe Using an Extensive and Chemically Diverse Test Suite
Golokesh Santra, Jan M L Martin
Molecules (Basel, Switzerland)
|
January 11, 2022
Pure and Hybrid SCAN, rSCAN, and r<sup>2</sup>SCAN: Which One Is Preferred in KS- and HF-DFT Calculations, and How Does D4 Dispersion Correction Affect This Ranking?
Golokesh Santra, Jan M L Martin
Physical Chemistry Chemical Physics : PCCP
|
August 30, 2024
Extensive reference set and refined computational protocol for calculations of <sup>57</sup>Fe Mössbauer parameters
Golokesh Santra, Frank Neese, Dimitrios A Pantazis
The Journal of Physical Chemistry Letters
|
September 22, 2021
Surprisingly Good Performance of XYG3 Family Functionals Using a Scaled KS-MP3 Correlation
Golokesh Santra, Emmanouil Semidalas, Jan M L Martin
The Journal of Physical Chemistry. A
|
May 19, 2021
Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with <i>x</i>DSD as a Special Case
Golokesh Santra, Minsik Cho, Jan M L Martin
The Journal of Physical Chemistry. A
|
May 21, 2021
Exploring Avenues beyond Revised DSD Functionals: II. Random-Phase Approximation and Scaled MP3 Corrections
Golokesh Santra, Emmanouil Semidalas, Jan M L Martin
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Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 4, 2025
Conformational Profile of Galactose-α-1,3-Galactose (α-Gal) and Structural Basis of Its Immunological Response
Golokesh Santra, Dimitrios A Pantazis
The Journal of Physical Chemistry Letters
|
April 13, 2022
Do Double-Hybrid Functionals Benefit from Regularization in the PT2 Term? Observations from an Extensive Benchmark
Golokesh Santra, Jan M L Martin
The Journal of Physical Chemistry. A
|
December 12, 2022
Performance of Localized-Orbital Coupled-Cluster Approaches for the Conformational Energies of Longer <i>n</i>-Alkane Chains
Golokesh Santra, Jan M L Martin
The Journal of Physical Chemistry. A
|
July 24, 2025
Modified Opposite-Spin-Scaled Double-Hybrid Functionals
Golokesh Santra, Markus Bursch, Lukas Wittmann
Journal of Chemical Theory and Computation
|
February 24, 2021
What Types of Chemical Problems Benefit from Density-Corrected DFT? A Probe Using an Extensive and Chemically Diverse Test Suite
Golokesh Santra, Jan M L Martin
Molecules (Basel, Switzerland)
|
January 11, 2022
Pure and Hybrid SCAN, rSCAN, and r<sup>2</sup>SCAN: Which One Is Preferred in KS- and HF-DFT Calculations, and How Does D4 Dispersion Correction Affect This Ranking?
Golokesh Santra, Jan M L Martin
Physical Chemistry Chemical Physics : PCCP
|
August 30, 2024
Extensive reference set and refined computational protocol for calculations of <sup>57</sup>Fe Mössbauer parameters
Golokesh Santra, Frank Neese, Dimitrios A Pantazis
The Journal of Physical Chemistry Letters
|
September 22, 2021
Surprisingly Good Performance of XYG3 Family Functionals Using a Scaled KS-MP3 Correlation
Golokesh Santra, Emmanouil Semidalas, Jan M L Martin
The Journal of Physical Chemistry. A
|
May 19, 2021
Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with <i>x</i>DSD as a Special Case
Golokesh Santra, Minsik Cho, Jan M L Martin
The Journal of Physical Chemistry. A
|
May 21, 2021
Exploring Avenues beyond Revised DSD Functionals: II. Random-Phase Approximation and Scaled MP3 Corrections
Golokesh Santra, Emmanouil Semidalas, Jan M L Martin
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