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Physical Chemistry Chemical Physics : PCCP
|
August 2, 2024
Extension of the D3 and D4 London dispersion corrections to the full actinides series
Lukas Wittmann, Igor Gordiy, Marvin Friede, et al.
Journal of Chemical Theory and Computation
|
September 1, 2023
Toward Benchmark-Quality <i>Ab Initio</i> Predictions for 3d Transition Metal Electrocatalysts: A Comparison of CCSD(T) and ph-AFQMC
Hagen Neugebauer, Hung T Vuong, John L Weber, et al.
Angewandte Chemie (International Ed. in English)
|
July 10, 2023
Dispersion Energy-Stabilized Boron and Phosphorus Lewis Pairs
Benedikt Sieland, Marcel Stahn, Roland Schoch, et al.
Inorganic Chemistry
|
November 4, 2021
Ligand Protonation at Carbon, not Nitrogen, during H<sub>2</sub> Production with Amine-Rich Iron Electrocatalysts
Práxedes Sánchez, Bhumika Goel, Hagen Neugebauer, et al.
Angewandte Chemie (International Ed. in English)
|
September 15, 2017
Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance Spectra
Stefan Grimme, Christoph Bannwarth, Sebastian Dohm, et al.
Journal of the American Chemical Society
|
January 24, 2019
TEMPO-Mediated Catalysis of the Sterically Hindered Hydrogen Atom Transfer Reaction between (C<sub>5</sub>Ph<sub>5</sub>)Cr(CO)<sub>3</sub>H and a Trityl Radical
Thilina Gunasekara, Graham P Abramo, Andreas Hansen, et al.
Journal of the American Chemical Society
|
May 26, 2025
Hydrogen Bond Interaction Networks in the Mixed Pentamers of Hydrogen Sulfide and Water
Pablo Pinacho, Cristóbal Pérez, Marcel Stahn, et al.
Journal of the Neurological Sciences
|
October 18, 2005
Increased intracranial volume in Parkinson's disease
Katja Krabbe, Merete Karlsborg, Andreas Hansen, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 4, 2023
Polyradical character assessment using multireference calculations and comparison with density-functional derived fractional occupation number weighted density analysis
Reed Nieman, Jhonatas R Carvalho, Bhumika Jayee, et al.
Chemical Science
|
May 22, 2018
Donor-acceptor interactions between cyclic trinuclear pyridinate gold(i)-complexes and electron-poor guests: nature and energetics of guest-binding and templating on graphite
Raiko Hahn, Fabian Bohle, Stefan Kotte, et al.
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Search research articles
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Showing results (71-80 of 100) with videos related to
Sort By:
Page
of 10
Physical Chemistry Chemical Physics : PCCP
|
August 2, 2024
Extension of the D3 and D4 London dispersion corrections to the full actinides series
Lukas Wittmann, Igor Gordiy, Marvin Friede, et al.
Journal of Chemical Theory and Computation
|
September 1, 2023
Toward Benchmark-Quality <i>Ab Initio</i> Predictions for 3d Transition Metal Electrocatalysts: A Comparison of CCSD(T) and ph-AFQMC
Hagen Neugebauer, Hung T Vuong, John L Weber, et al.
Angewandte Chemie (International Ed. in English)
|
July 10, 2023
Dispersion Energy-Stabilized Boron and Phosphorus Lewis Pairs
Benedikt Sieland, Marcel Stahn, Roland Schoch, et al.
Inorganic Chemistry
|
November 4, 2021
Ligand Protonation at Carbon, not Nitrogen, during H<sub>2</sub> Production with Amine-Rich Iron Electrocatalysts
Práxedes Sánchez, Bhumika Goel, Hagen Neugebauer, et al.
Angewandte Chemie (International Ed. in English)
|
September 15, 2017
Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance Spectra
Stefan Grimme, Christoph Bannwarth, Sebastian Dohm, et al.
Journal of the American Chemical Society
|
January 24, 2019
TEMPO-Mediated Catalysis of the Sterically Hindered Hydrogen Atom Transfer Reaction between (C<sub>5</sub>Ph<sub>5</sub>)Cr(CO)<sub>3</sub>H and a Trityl Radical
Thilina Gunasekara, Graham P Abramo, Andreas Hansen, et al.
Journal of the American Chemical Society
|
May 26, 2025
Hydrogen Bond Interaction Networks in the Mixed Pentamers of Hydrogen Sulfide and Water
Pablo Pinacho, Cristóbal Pérez, Marcel Stahn, et al.
Journal of the Neurological Sciences
|
October 18, 2005
Increased intracranial volume in Parkinson's disease
Katja Krabbe, Merete Karlsborg, Andreas Hansen, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 4, 2023
Polyradical character assessment using multireference calculations and comparison with density-functional derived fractional occupation number weighted density analysis
Reed Nieman, Jhonatas R Carvalho, Bhumika Jayee, et al.
Chemical Science
|
May 22, 2018
Donor-acceptor interactions between cyclic trinuclear pyridinate gold(i)-complexes and electron-poor guests: nature and energetics of guest-binding and templating on graphite
Raiko Hahn, Fabian Bohle, Stefan Kotte, et al.
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of 10