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The Journal of Physical Chemistry. A
|
April 28, 2007
Intensity of d-d symmetry-forbidden electronic transition in Cr(CO)6
Alexandre B Rocha
The Journal of Chemical Physics
|
January 19, 2011
Potential curves for inner-shell states of CO calculated at multiconfigurational self-consistent field level
Alexandre B Rocha
Journal of Molecular Modeling
|
July 18, 2014
Spin-orbit splitting for inner-shell 2p states
Alexandre B Rocha
Journal of Molecular Modeling
|
September 12, 2019
Acrylic acid hydrodeoxygenation reaction mechanism over molybdenum carbide studied by DFT calculations
Ricardo R Oliveira, Alexandre B Rocha
The Journal of Chemical Physics
|
December 16, 2011
The problem of hole localization in inner-shell states of N2 and CO2 revisited with complete active space self-consistent field approach
Alexandre B Rocha, Carlos E V de Moura
Journal of Molecular Modeling
|
February 12, 2024
Total absorption spectrum of benzene aggregates obtained from two different approaches
Ricardo Montserrat, Ricardo R Oliveira, Alexandre B Rocha
Journal of Molecular Modeling
|
September 22, 2020
Rotational spectrum simulations of asymmetric tops in an astrochemical context
Julia C Santos, Alexandre B Rocha, Ricardo R Oliveira
ACS Omega
|
November 4, 2024
NEXAFS Spectra Simulations of Nitrogen-Bearing Heterocycles
Ricardo R Oliveira, Amanda D Torres, Alexandre B Rocha
Journal of Molecular Modeling
|
October 17, 2012
Transition energy and potential energy curves for ionized inner-shell states of CO, O2 and N 2 calculated by several inner-shell multiconfigurational approaches
Carlos E V de Moura, Ricardo R Oliveira, Alexandre B Rocha
The Journal of Physical Chemistry. A
|
April 9, 2025
Signatures in Vibrational and Vibronic Spectra of Benzene Molecular Clusters
Ricardo Montserrat, Amanda D Torres, Ricardo R Oliveira, et al.
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Search research articles
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Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. A
|
April 28, 2007
Intensity of d-d symmetry-forbidden electronic transition in Cr(CO)6
Alexandre B Rocha
The Journal of Chemical Physics
|
January 19, 2011
Potential curves for inner-shell states of CO calculated at multiconfigurational self-consistent field level
Alexandre B Rocha
Journal of Molecular Modeling
|
July 18, 2014
Spin-orbit splitting for inner-shell 2p states
Alexandre B Rocha
Journal of Molecular Modeling
|
September 12, 2019
Acrylic acid hydrodeoxygenation reaction mechanism over molybdenum carbide studied by DFT calculations
Ricardo R Oliveira, Alexandre B Rocha
The Journal of Chemical Physics
|
December 16, 2011
The problem of hole localization in inner-shell states of N2 and CO2 revisited with complete active space self-consistent field approach
Alexandre B Rocha, Carlos E V de Moura
Journal of Molecular Modeling
|
February 12, 2024
Total absorption spectrum of benzene aggregates obtained from two different approaches
Ricardo Montserrat, Ricardo R Oliveira, Alexandre B Rocha
Journal of Molecular Modeling
|
September 22, 2020
Rotational spectrum simulations of asymmetric tops in an astrochemical context
Julia C Santos, Alexandre B Rocha, Ricardo R Oliveira
ACS Omega
|
November 4, 2024
NEXAFS Spectra Simulations of Nitrogen-Bearing Heterocycles
Ricardo R Oliveira, Amanda D Torres, Alexandre B Rocha
Journal of Molecular Modeling
|
October 17, 2012
Transition energy and potential energy curves for ionized inner-shell states of CO, O2 and N 2 calculated by several inner-shell multiconfigurational approaches
Carlos E V de Moura, Ricardo R Oliveira, Alexandre B Rocha
The Journal of Physical Chemistry. A
|
April 9, 2025
Signatures in Vibrational and Vibronic Spectra of Benzene Molecular Clusters
Ricardo Montserrat, Amanda D Torres, Ricardo R Oliveira, et al.
Page
of 2