受强制性开放获取政策约束的文章 - R. K. Kathir了解详情
可在其他位置公开访问的文章:9 篇
Singlet fission rate: Optimized packing of a molecular pair. Ethylene as a model
A Zaykov, P Felkel, EA Buchanan, M Jovanovic, RWA Havenith, RK Kathir, ...
Journal of the American Chemical Society 141 (44), 17729-17743, 2019
强制性开放获取政策: US Department of Energy, Netherlands Organisation for Scientific Research
Reduced common molecular orbital basis for nonorthogonal configuration interaction
RK Kathir, C de Graaf, R Broer, RWA Havenith
Journal of Chemical Theory and Computation 16 (5), 2941-2951, 2020
强制性开放获取政策: US Department of Energy, Netherlands Organisation for Scientific Research …
Pre-exascale accelerated application development: The ORNL Summit experience
L Luo, TP Straatsma, LEA Suarez, R Broer, D Bykov, EF D'Azevedo, ...
IBM Journal of Research and Development 64 (3/4), 11: 1-11: 21, 2020
强制性开放获取政策: US Department of Energy, Netherlands Organisation for Scientific Research
GronOR: Massively parallel and GPU-accelerated non-orthogonal configuration interaction for large molecular systems
TP Straatsma, R Broer, S Faraji, RWA Havenith, LE Suarez, RK Kathir, ...
The Journal of Chemical Physics 152 (6), 2020
强制性开放获取政策: US Department of Energy, Netherlands Organisation for Scientific Research …
Determination of electronic couplings in the singlet fission process using a nonorthogonal configuration interaction approach
LEA Suarez, RK Kathir, E Siagri, RWA Havenith, S Faraji
Advances in Quantum Chemistry 79, 263-287, 2019
强制性开放获取政策: US Department of Energy, Netherlands Organisation for Scientific Research
On the role of dynamic electron correlation in non-orthogonal configuration interaction with fragments
A Sanchez-Mansilla, C Sousa, RK Kathir, R Broer, TP Straatsma, ...
Physical Chemistry Chemical Physics 24 (19), 11931-11944, 2022
强制性开放获取政策: US Department of Energy, Netherlands Organisation for Scientific Research …
The rate constant for formation of HCl through radiative association
RK Kathir, G Nyman, M Gustafsson
Monthly Notices of the Royal Astronomical Society 470 (3), 3068-3070, 2017
强制性开放获取政策: Knut and Alice Wallenberg Foundation, Swedish Research Council, European …
Nonorthogonal configuration interaction to study electron and excitation energy transfer
RK Kathir
University of Groningen, 2022
强制性开放获取政策: US Department of Energy, Netherlands Organisation for Scientific Research …
Electronic couplings for singlet fission: Orbital choice and extrapolation to the complete basis set limit
T Speelman, AV Cunha, RK Kathir, RWA Havenith
Journal of Computational Chemistry 42 (5), 326-333, 2021
强制性开放获取政策: US Department of Energy, Netherlands Organisation for Scientific Research
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