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Physical Chemistry Chemical Physics : PCCP
|
February 14, 2013
Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution
Lars Goerigk, Amir Karton, Jan M L Martin, et al.
RSC Advances
|
July 2, 2025
Spin-scaled double hybrids with long-range correction solve the TD-DFT overestimation problem in BODIPY dyes: benchmarking and experimental validation
Shebual Sebastian, Vaughan Riley, Binuki Wanniarachchi, et al.
The Journal of Physical Chemistry. A
|
August 4, 2009
Optimization and basis-set dependence of a restricted-open-shell form of B2-PLYP double-hybrid density functional theory
David C Graham, Ambili S Menon, Lars Goerigk, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2017
A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions
Lars Goerigk, Andreas Hansen, Christoph Bauer, et al.
Inorganic Chemistry
|
January 6, 2025
Cobalt Complexes with Aminophenolate Ligands: Spin Crossover and Ligand Versatility
I Haseena Ismail, Marcus J Giansiracusa, Robert W Gable, et al.
Organic & Biomolecular Chemistry
|
November 25, 2017
Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime
Amani Alhifthi, Benjamin L Harris, Lars Goerigk, et al.
Angewandte Chemie (International Ed. in English)
|
July 12, 2017
Highly Fluorescent Pyridinium Betaines for Light Harvesting
Jingjing Xu, Bolong Zhang, Marina Jansen, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 3, 2015
Photoisomerization action spectroscopy: flicking the protonated merocyanine-spiropyran switch in the gas phase
Peter B Markworth, Brian D Adamson, Neville J A Coughlan, et al.
Journal of the American Chemical Society
|
July 13, 2018
Visible-Light-Driven "On"/"Off" Photochromism of a Polyoxometalate Diarylethene Coordination Complex
Jingjing Xu, Henrieta Volfova, Roger J Mulder, et al.
Chemical Science
|
April 19, 2024
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent
F Zahra M Zahir, Moya A Hay, Jett T Janetzki, et al.
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of 6
Search research articles
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Showing results (41-50 of 57) with videos related to
Sort By:
Page
of 6
Physical Chemistry Chemical Physics : PCCP
|
February 14, 2013
Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution
Lars Goerigk, Amir Karton, Jan M L Martin, et al.
RSC Advances
|
July 2, 2025
Spin-scaled double hybrids with long-range correction solve the TD-DFT overestimation problem in BODIPY dyes: benchmarking and experimental validation
Shebual Sebastian, Vaughan Riley, Binuki Wanniarachchi, et al.
The Journal of Physical Chemistry. A
|
August 4, 2009
Optimization and basis-set dependence of a restricted-open-shell form of B2-PLYP double-hybrid density functional theory
David C Graham, Ambili S Menon, Lars Goerigk, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2017
A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions
Lars Goerigk, Andreas Hansen, Christoph Bauer, et al.
Inorganic Chemistry
|
January 6, 2025
Cobalt Complexes with Aminophenolate Ligands: Spin Crossover and Ligand Versatility
I Haseena Ismail, Marcus J Giansiracusa, Robert W Gable, et al.
Organic & Biomolecular Chemistry
|
November 25, 2017
Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime
Amani Alhifthi, Benjamin L Harris, Lars Goerigk, et al.
Angewandte Chemie (International Ed. in English)
|
July 12, 2017
Highly Fluorescent Pyridinium Betaines for Light Harvesting
Jingjing Xu, Bolong Zhang, Marina Jansen, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 3, 2015
Photoisomerization action spectroscopy: flicking the protonated merocyanine-spiropyran switch in the gas phase
Peter B Markworth, Brian D Adamson, Neville J A Coughlan, et al.
Journal of the American Chemical Society
|
July 13, 2018
Visible-Light-Driven "On"/"Off" Photochromism of a Polyoxometalate Diarylethene Coordination Complex
Jingjing Xu, Henrieta Volfova, Roger J Mulder, et al.
Chemical Science
|
April 19, 2024
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent
F Zahra M Zahir, Moya A Hay, Jett T Janetzki, et al.
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of 6