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Chemical Reviews
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January 13, 2012
Recent advances in wave function-based methods of molecular-property calculations
Trygve Helgaker, Sonia Coriani, Poul Jørgensen, et al.
The Journal of Physical Chemistry. A
|
December 22, 2023
Auger-Meitner and X-ray Absorption Spectra of Ethylene Cation: Insight into Conical Intersection Dynamics
Bruno Nunes Cabral Tenorio, Jacob Pedersen, Mario Barbatti, et al.
The Journal of Physical Chemistry Letters
|
August 15, 2015
Relative Stability of the La and Lb Excited States in Adenine and Guanine: Direct Evidence from TD-DFT Calculations of MCD Spectra
Fabrizio Santoro, Roberto Improta, Tobias Fahleson, et al.
The Journal of Physical Chemistry. A
|
February 5, 2015
TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids
Tobias Fahleson, Joanna Kauczor, Patrick Norman, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2019
How to stay out of trouble in RIXS calculations within equation-of-motion coupled-cluster damped response theory? Safe hitchhiking in the excitation manifold by means of core-valence separation
Kaushik D Nanda, Marta L Vidal, Rasmus Faber, et al.
The Journal of Chemical Physics
|
December 11, 2013
A density functional theory study of magneto-electric Jones birefringence of noble gases, furan homologues, and mono-substituted benzenes
Tobias Fahleson, Patrick Norman, Sonia Coriani, et al.
Journal of Chemical Theory and Computation
|
May 4, 2021
Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac-Coulomb(-Gaunt) Hamiltonian
Loïc Halbert, Marta L Vidal, Avijit Shee, et al.
The Journal of Chemical Physics
|
November 17, 2019
Lanczos-based equation-of-motion coupled-cluster singles-and-doubles approach to the total photoionization cross section of valence excited states
Bruno Nunes Cabral Tenorio, Marco Antonio Chaer Nascimento, Alexandre Braga Rocha, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 24, 2009
Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS)
Andreas J Thorvaldsen, Lara Ferrighi, Kenneth Ruud, et al.
Journal of Chemical Theory and Computation
|
July 20, 2016
Coupled Cluster Study of Photoionization and Photodetachment Cross Sections
Bruno Nunes Cabral Tenorio, Marco Antonio Chaer Nascimento, Sonia Coriani, et al.
Page
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Search research articles
Search
Showing results (71-80 of 156) with videos related to
Sort By:
Page
of 16
Chemical Reviews
|
January 13, 2012
Recent advances in wave function-based methods of molecular-property calculations
Trygve Helgaker, Sonia Coriani, Poul Jørgensen, et al.
The Journal of Physical Chemistry. A
|
December 22, 2023
Auger-Meitner and X-ray Absorption Spectra of Ethylene Cation: Insight into Conical Intersection Dynamics
Bruno Nunes Cabral Tenorio, Jacob Pedersen, Mario Barbatti, et al.
The Journal of Physical Chemistry Letters
|
August 15, 2015
Relative Stability of the La and Lb Excited States in Adenine and Guanine: Direct Evidence from TD-DFT Calculations of MCD Spectra
Fabrizio Santoro, Roberto Improta, Tobias Fahleson, et al.
The Journal of Physical Chemistry. A
|
February 5, 2015
TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids
Tobias Fahleson, Joanna Kauczor, Patrick Norman, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2019
How to stay out of trouble in RIXS calculations within equation-of-motion coupled-cluster damped response theory? Safe hitchhiking in the excitation manifold by means of core-valence separation
Kaushik D Nanda, Marta L Vidal, Rasmus Faber, et al.
The Journal of Chemical Physics
|
December 11, 2013
A density functional theory study of magneto-electric Jones birefringence of noble gases, furan homologues, and mono-substituted benzenes
Tobias Fahleson, Patrick Norman, Sonia Coriani, et al.
Journal of Chemical Theory and Computation
|
May 4, 2021
Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac-Coulomb(-Gaunt) Hamiltonian
Loïc Halbert, Marta L Vidal, Avijit Shee, et al.
The Journal of Chemical Physics
|
November 17, 2019
Lanczos-based equation-of-motion coupled-cluster singles-and-doubles approach to the total photoionization cross section of valence excited states
Bruno Nunes Cabral Tenorio, Marco Antonio Chaer Nascimento, Alexandre Braga Rocha, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 24, 2009
Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS)
Andreas J Thorvaldsen, Lara Ferrighi, Kenneth Ruud, et al.
Journal of Chemical Theory and Computation
|
July 20, 2016
Coupled Cluster Study of Photoionization and Photodetachment Cross Sections
Bruno Nunes Cabral Tenorio, Marco Antonio Chaer Nascimento, Sonia Coriani, et al.
Page
of 16