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The Journal of Chemical Physics
|
January 21, 2025
The divide expand consolidate scheme for unrestricted second order Møller-Plesset perturbation theory ground state energies
Magnus Bukhave Johansen, Andreas Erbs Hillers-Bendtsen, Hector H Corzo, et al.
Nature Communications
|
January 20, 2017
Indefinitely stable iron(IV) cage complexes formed in water by air oxidation
Stefania Tomyn, Sergii I Shylin, Dmytro Bykov, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
December 26, 2012
Electronic structure of the unique [4Fe-3S] cluster in O2-tolerant hydrogenases characterized by 57Fe Mossbauer and EPR spectroscopy
Maria-Eirini Pandelia, Dmytro Bykov, Robert Izsak, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 29, 2022
[Fe<sub>4</sub>S<sub>4</sub>] cubane in sulfite reductases: new insights into bonding properties and reactivity
Shahriar N Khan, Alexa Griffith, Frank De Proft, et al.
The Journal of Chemical Physics
|
April 15, 2023
Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations
Andreas Erbs Hillers-Bendtsen, Dmytro Bykov, Ashleigh Barnes, et al.
Science (New York, N.Y.)
|
March 31, 2018
Activation of olefins via asymmetric Brønsted acid catalysis
Nobuya Tsuji, Jennifer L Kennemur, Thomas Buyck, et al.
Frontiers in Chemistry
|
September 1, 2023
Corrigendum: Coupled cluster theory on modern heterogeneous supercomputers
Hector H Corzo, Andreas Erbs Hillers-Bendtsen, Ashleigh Barnes, et al.
Frontiers in Chemistry
|
June 30, 2023
Coupled cluster theory on modern heterogeneous supercomputers
Hector H Corzo, Andreas Erbs Hillers-Bendtsen, Ashleigh Barnes, et al.
Chemical Communications (Cambridge, England)
|
October 5, 2021
Expanding manganese(IV) aqueous chemistry: unusually stable water-soluble hexahydrazide clathrochelate complexes
Sergii I Shylin, James L Pogrebetsky, Alina O Husak, et al.
ACS Pharmacology & Translational Science
|
April 18, 2022
Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor
Jens Glaser, Ada Sedova, Stephanie Galanie, et al.
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Search research articles
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Showing results (11-20 of 21) with videos related to
Sort By:
Page
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The Journal of Chemical Physics
|
January 21, 2025
The divide expand consolidate scheme for unrestricted second order Møller-Plesset perturbation theory ground state energies
Magnus Bukhave Johansen, Andreas Erbs Hillers-Bendtsen, Hector H Corzo, et al.
Nature Communications
|
January 20, 2017
Indefinitely stable iron(IV) cage complexes formed in water by air oxidation
Stefania Tomyn, Sergii I Shylin, Dmytro Bykov, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
December 26, 2012
Electronic structure of the unique [4Fe-3S] cluster in O2-tolerant hydrogenases characterized by 57Fe Mossbauer and EPR spectroscopy
Maria-Eirini Pandelia, Dmytro Bykov, Robert Izsak, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 29, 2022
[Fe<sub>4</sub>S<sub>4</sub>] cubane in sulfite reductases: new insights into bonding properties and reactivity
Shahriar N Khan, Alexa Griffith, Frank De Proft, et al.
The Journal of Chemical Physics
|
April 15, 2023
Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations
Andreas Erbs Hillers-Bendtsen, Dmytro Bykov, Ashleigh Barnes, et al.
Science (New York, N.Y.)
|
March 31, 2018
Activation of olefins via asymmetric Brønsted acid catalysis
Nobuya Tsuji, Jennifer L Kennemur, Thomas Buyck, et al.
Frontiers in Chemistry
|
September 1, 2023
Corrigendum: Coupled cluster theory on modern heterogeneous supercomputers
Hector H Corzo, Andreas Erbs Hillers-Bendtsen, Ashleigh Barnes, et al.
Frontiers in Chemistry
|
June 30, 2023
Coupled cluster theory on modern heterogeneous supercomputers
Hector H Corzo, Andreas Erbs Hillers-Bendtsen, Ashleigh Barnes, et al.
Chemical Communications (Cambridge, England)
|
October 5, 2021
Expanding manganese(IV) aqueous chemistry: unusually stable water-soluble hexahydrazide clathrochelate complexes
Sergii I Shylin, James L Pogrebetsky, Alina O Husak, et al.
ACS Pharmacology & Translational Science
|
April 18, 2022
Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor
Jens Glaser, Ada Sedova, Stephanie Galanie, et al.
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of 3