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The Journal of Chemical Physics
|
April 23, 2022
Erratum: "Harnessing the meta-generalized gradient approximation for time-dependent density functional theory" [J. Chem. Phys. 137, 164105 (2012)]
Jefferson E Bates, Maximillian C Heiche, Jiashu Liang, et al.
The Journal of Physical Chemistry. A
|
July 16, 2024
Chemically Accurate Singlet-Triplet Gaps of Arylcarbenes from Local Hybrid Density Functionals
Robin Grotjahn, Justin Purnomo, Dayun Jin, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Analytical First-Order Molecular Properties and Forces within the Adiabatic Connection Random Phase Approximation
Asbjörn M Burow, Jefferson E Bates, Filipp Furche, et al.
Physical Review Letters
|
October 4, 2003
Photoelectron spectroscopy of C(84) dianions
Oli T Ehrler, J Mathias Weber, Filipp Furche, et al.
Inorganic Chemistry
|
May 3, 2022
Synthesis and Reduction of Heteroleptic Bis(cyclopentadienyl) Uranium(III) Complexes
Justin C Wedal, Joseph W Ziller, Filipp Furche, et al.
The Journal of Chemical Physics
|
April 20, 2005
Photoelectron spectroscopy of fullerene dianions C76(2-), C78(2-), and C84(2-)
Oli T Ehrler, Filipp Furche, J Mathias Weber, et al.
Journal of Chemical Theory and Computation
|
March 13, 2019
Assessment of Density Functional Theory in Predicting Interaction Energies between Water and Polycyclic Aromatic Hydrocarbons: from Water on Benzene to Water on Graphene
Adeayo O Ajala, Vamsee Voora, Narbe Mardirossian, et al.
The Journal of Chemical Physics
|
January 22, 2024
Natural determinant reference functional theory
Jason M Yu, Jeffrey Tsai, Ahmadreza Rajabi, et al.
The Journal of Physical Chemistry Letters
|
June 22, 2023
Constructing the Mechanism of Dinoflagellate Luciferin Bioluminescence Using Computation
Gabriel S Phun, Dmitrij Rappoport, Filipp Furche, et al.
Journal of the American Chemical Society
|
March 31, 2025
Redox Studies of the Scandium Metallocene (C<sub>5</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub>)<sub>2</sub>Sc<sup>II</sup> Lead to a Terminal Side-On (N═N)<sup>2-</sup> Complex: [(C<sub>5</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub>)<sub>2</sub>Sc<sup>III</sup>(η<sup>2</sup>-N<sub>2</sub>)]<sup></sup>
Joshua D Queen, Ahmadreza Rajabi, Joseph W Ziller, et al.
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of 13
Search research articles
Search
Showing results (41-50 of 124) with videos related to
Sort By:
Page
of 13
The Journal of Chemical Physics
|
April 23, 2022
Erratum: "Harnessing the meta-generalized gradient approximation for time-dependent density functional theory" [J. Chem. Phys. 137, 164105 (2012)]
Jefferson E Bates, Maximillian C Heiche, Jiashu Liang, et al.
The Journal of Physical Chemistry. A
|
July 16, 2024
Chemically Accurate Singlet-Triplet Gaps of Arylcarbenes from Local Hybrid Density Functionals
Robin Grotjahn, Justin Purnomo, Dayun Jin, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Analytical First-Order Molecular Properties and Forces within the Adiabatic Connection Random Phase Approximation
Asbjörn M Burow, Jefferson E Bates, Filipp Furche, et al.
Physical Review Letters
|
October 4, 2003
Photoelectron spectroscopy of C(84) dianions
Oli T Ehrler, J Mathias Weber, Filipp Furche, et al.
Inorganic Chemistry
|
May 3, 2022
Synthesis and Reduction of Heteroleptic Bis(cyclopentadienyl) Uranium(III) Complexes
Justin C Wedal, Joseph W Ziller, Filipp Furche, et al.
The Journal of Chemical Physics
|
April 20, 2005
Photoelectron spectroscopy of fullerene dianions C76(2-), C78(2-), and C84(2-)
Oli T Ehrler, Filipp Furche, J Mathias Weber, et al.
Journal of Chemical Theory and Computation
|
March 13, 2019
Assessment of Density Functional Theory in Predicting Interaction Energies between Water and Polycyclic Aromatic Hydrocarbons: from Water on Benzene to Water on Graphene
Adeayo O Ajala, Vamsee Voora, Narbe Mardirossian, et al.
The Journal of Chemical Physics
|
January 22, 2024
Natural determinant reference functional theory
Jason M Yu, Jeffrey Tsai, Ahmadreza Rajabi, et al.
The Journal of Physical Chemistry Letters
|
June 22, 2023
Constructing the Mechanism of Dinoflagellate Luciferin Bioluminescence Using Computation
Gabriel S Phun, Dmitrij Rappoport, Filipp Furche, et al.
Journal of the American Chemical Society
|
March 31, 2025
Redox Studies of the Scandium Metallocene (C<sub>5</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub>)<sub>2</sub>Sc<sup>II</sup> Lead to a Terminal Side-On (N═N)<sup>2-</sup> Complex: [(C<sub>5</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub>)<sub>2</sub>Sc<sup>III</sup>(η<sup>2</sup>-N<sub>2</sub>)]<sup></sup>
Joshua D Queen, Ahmadreza Rajabi, Joseph W Ziller, et al.
Page
of 13