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Physical Chemistry Chemical Physics : PCCP
|
August 31, 2019
Laplacian free and asymptotic corrected semilocal exchange potential applied to the band gap of solids
Abhilash Patra, Subrata Jana, Hemanadhan Myneni, et al.
The Journal of Physical Chemistry. B
|
November 7, 2022
Polarizable Force Field for Acetonitrile Based on the Single-Center Multipole Expansion
Hemanadhan Myneni, Elvar Örn Jónsson, Hannes Jónsson, et al.
The Journal of Chemical Physics
|
September 23, 2021
Benchmark test of a dispersion corrected revised Tao-Mo semilocal functional for thermochemistry, kinetics, and noncovalent interactions of molecules and solids
Subrata Jana, Hemanadhan Myneni, Szymon Śmiga, et al.
The Journal of Physical Chemistry Letters
|
June 4, 2025
Localized and Delocalized Charge Distribution in a Diamine Cation and Rydberg Excited State: A Challenging Test for Density Functionals
Benedikt O Birgisson, Marta Gałyńska, Hemanadhan Myneni, et al.
The Journal of Chemical Physics
|
December 16, 2021
Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breaking
Kai Trepte, Sebastian Schwalbe, Simon Liebing, et al.
The Journal of Chemical Physics
|
May 10, 2019
Stretched or noded orbital densities and self-interaction correction in density functional theory
Chandra Shahi, Puskar Bhattarai, Kamal Wagle, et al.
Digital Discovery
|
June 17, 2026
Journal research data policies in materials science
Lukas Hörmann, Hemanadhan Myneni, Rwayda Kh S Al-Hamd, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Physical Chemistry Chemical Physics : PCCP
|
August 31, 2019
Laplacian free and asymptotic corrected semilocal exchange potential applied to the band gap of solids
Abhilash Patra, Subrata Jana, Hemanadhan Myneni, et al.
The Journal of Physical Chemistry. B
|
November 7, 2022
Polarizable Force Field for Acetonitrile Based on the Single-Center Multipole Expansion
Hemanadhan Myneni, Elvar Örn Jónsson, Hannes Jónsson, et al.
The Journal of Chemical Physics
|
September 23, 2021
Benchmark test of a dispersion corrected revised Tao-Mo semilocal functional for thermochemistry, kinetics, and noncovalent interactions of molecules and solids
Subrata Jana, Hemanadhan Myneni, Szymon Śmiga, et al.
The Journal of Physical Chemistry Letters
|
June 4, 2025
Localized and Delocalized Charge Distribution in a Diamine Cation and Rydberg Excited State: A Challenging Test for Density Functionals
Benedikt O Birgisson, Marta Gałyńska, Hemanadhan Myneni, et al.
The Journal of Chemical Physics
|
December 16, 2021
Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breaking
Kai Trepte, Sebastian Schwalbe, Simon Liebing, et al.
The Journal of Chemical Physics
|
May 10, 2019
Stretched or noded orbital densities and self-interaction correction in density functional theory
Chandra Shahi, Puskar Bhattarai, Kamal Wagle, et al.
Digital Discovery
|
June 17, 2026
Journal research data policies in materials science
Lukas Hörmann, Hemanadhan Myneni, Rwayda Kh S Al-Hamd, et al.
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of 1