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Inorganic Chemistry
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October 13, 2021
Density Functional Theory Analysis of the Importance of Coordination Geometry for 5f<sup>3</sup>6d<sup>1</sup> versus 5f<sup>4</sup> Electron Configurations in U(II) Complexes
Justin C Wedal, Filipp Furche, William J Evans
The Journal of Physical Chemistry. A
|
May 30, 2009
Chiral cooperativity and solvent-induced tautomerism effects in electronic circular dichroism spectra of [2.2]paracyclophane ketimines
Ingolf Warnke, Sefer Ay, Stefan Bräse, et al.
Journal of Chemical Theory and Computation
|
September 22, 2018
Performance and Scope of Perturbative Corrections to Random-Phase Approximation Energies
Guo P Chen, Matthew M Agee, Filipp Furche
Dalton Transactions (Cambridge, England : 2003)
|
November 28, 2023
A DFT perspective on organometallic lanthanide chemistry
Ahmadreza Rajabi, Robin Grotjahn, Dmitrij Rappoport, et al.
Chemical Communications (Cambridge, England)
|
October 30, 2010
Asymmetric total synthesis of (+)-fumimycin via 1,2-addition to ketimines
Patrick J Gross, Filipp Furche, Martin Nieger, et al.
Inorganic Chemistry
|
May 6, 2025
Theoretical Characterization of Bis(pentaisopropylcyclopentadienyl) Rare-Earth Metallocenes
Ahmadreza Rajabi, Dang Khoa Nguyen, Robin Grotjahn, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 27, 2013
Ab initio non-adiabatic molecular dynamics
Enrico Tapavicza, Gregory D Bellchambers, Jordan C Vincent, et al.
The Journal of Chemical Physics
|
February 16, 2015
First-order derivative couplings between excited states from adiabatic TDDFT response theory
Qi Ou, Gregory D Bellchambers, Filipp Furche, et al.
The Journal of Chemical Physics
|
October 10, 2019
Effective one-particle energies from generalized Kohn-Sham random phase approximation: A direct approach for computing and analyzing core ionization energies
Vamsee K Voora, Randima Galhenage, John C Hemminger, et al.
The Journal of Chemical Physics
|
May 9, 2016
Accelerating molecular property calculations with nonorthonormal Krylov space methods
Filipp Furche, Brandon T Krull, Brian D Nguyen, et al.
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of 13
Search research articles
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Showing results (31-40 of 124) with videos related to
Sort By:
Page
of 13
Inorganic Chemistry
|
October 13, 2021
Density Functional Theory Analysis of the Importance of Coordination Geometry for 5f<sup>3</sup>6d<sup>1</sup> versus 5f<sup>4</sup> Electron Configurations in U(II) Complexes
Justin C Wedal, Filipp Furche, William J Evans
The Journal of Physical Chemistry. A
|
May 30, 2009
Chiral cooperativity and solvent-induced tautomerism effects in electronic circular dichroism spectra of [2.2]paracyclophane ketimines
Ingolf Warnke, Sefer Ay, Stefan Bräse, et al.
Journal of Chemical Theory and Computation
|
September 22, 2018
Performance and Scope of Perturbative Corrections to Random-Phase Approximation Energies
Guo P Chen, Matthew M Agee, Filipp Furche
Dalton Transactions (Cambridge, England : 2003)
|
November 28, 2023
A DFT perspective on organometallic lanthanide chemistry
Ahmadreza Rajabi, Robin Grotjahn, Dmitrij Rappoport, et al.
Chemical Communications (Cambridge, England)
|
October 30, 2010
Asymmetric total synthesis of (+)-fumimycin via 1,2-addition to ketimines
Patrick J Gross, Filipp Furche, Martin Nieger, et al.
Inorganic Chemistry
|
May 6, 2025
Theoretical Characterization of Bis(pentaisopropylcyclopentadienyl) Rare-Earth Metallocenes
Ahmadreza Rajabi, Dang Khoa Nguyen, Robin Grotjahn, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 27, 2013
Ab initio non-adiabatic molecular dynamics
Enrico Tapavicza, Gregory D Bellchambers, Jordan C Vincent, et al.
The Journal of Chemical Physics
|
February 16, 2015
First-order derivative couplings between excited states from adiabatic TDDFT response theory
Qi Ou, Gregory D Bellchambers, Filipp Furche, et al.
The Journal of Chemical Physics
|
October 10, 2019
Effective one-particle energies from generalized Kohn-Sham random phase approximation: A direct approach for computing and analyzing core ionization energies
Vamsee K Voora, Randima Galhenage, John C Hemminger, et al.
The Journal of Chemical Physics
|
May 9, 2016
Accelerating molecular property calculations with nonorthonormal Krylov space methods
Filipp Furche, Brandon T Krull, Brian D Nguyen, et al.
Page
of 13