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Angewandte Chemie (International Ed. in English)
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February 17, 2025
GOAT: A Global Optimization Algorithm for Molecules and Atomic Clusters
Bernardo de Souza
The Journal of Chemical Physics
|
January 22, 2018
On the theoretical prediction of fluorescence rates from first principles using the path integral approach
Bernardo de Souza, Frank Neese, Róbert Izsák
Physical Chemistry Chemical Physics : PCCP
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June 1, 2022
Can domain-based local pair natural orbitals approaches accurately predict phosphorescence energies?
Giovanna Bruno, Bernardo de Souza, Frank Neese, et al.
Journal of Chemical Theory and Computation
|
February 6, 2019
Predicting Phosphorescence Rates of Light Organic Molecules Using Time-Dependent Density Functional Theory and the Path Integral Approach to Dynamics
Bernardo de Souza, Giliandro Farias, Frank Neese, et al.
The Journal of Chemical Physics
|
June 10, 2019
Efficient simulation of overtones and combination bands in resonant Raman spectra
Bernardo de Souza, Giliandro Farias, Frank Neese, et al.
The Journal of Chemical Physics
|
April 24, 2023
Including vibrational effects in magnetic circular dichroism spectrum calculations in the framework of excited state dynamics
Nicolás Foglia, Bernardo De Souza, Dimitrios Maganas, et al.
The Journal of Chemical Physics
|
September 16, 2021
An improved chain of spheres for exchange algorithm
Benjamin Helmich-Paris, Bernardo de Souza, Frank Neese, et al.
Biosensors & Bioelectronics
|
April 12, 2014
Liquid crystal and gold nanoparticles applied to electrochemical immunosensor for cardiac biomarker
Eduardo Zapp, Eduard Westphal, Hugo Gallardo, et al.
Biosensors & Bioelectronics
|
December 5, 2012
PEI-coated gold nanoparticles decorated with laccase: a new platform for direct electrochemistry of enzymes and biosensing applications
Daniela Brondani, Bernardo de Souza, Bruno S Souza, et al.
The Journal of Chemical Physics
|
September 24, 2018
An efficient pair natural orbital based configuration interaction scheme for the calculation of open-shell ionization potentials
Avijit Sen, Bernardo de Souza, Lee M J Huntington, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 35) with videos related to
Sort By:
Page
of 4
Angewandte Chemie (International Ed. in English)
|
February 17, 2025
GOAT: A Global Optimization Algorithm for Molecules and Atomic Clusters
Bernardo de Souza
The Journal of Chemical Physics
|
January 22, 2018
On the theoretical prediction of fluorescence rates from first principles using the path integral approach
Bernardo de Souza, Frank Neese, Róbert Izsák
Physical Chemistry Chemical Physics : PCCP
|
June 1, 2022
Can domain-based local pair natural orbitals approaches accurately predict phosphorescence energies?
Giovanna Bruno, Bernardo de Souza, Frank Neese, et al.
Journal of Chemical Theory and Computation
|
February 6, 2019
Predicting Phosphorescence Rates of Light Organic Molecules Using Time-Dependent Density Functional Theory and the Path Integral Approach to Dynamics
Bernardo de Souza, Giliandro Farias, Frank Neese, et al.
The Journal of Chemical Physics
|
June 10, 2019
Efficient simulation of overtones and combination bands in resonant Raman spectra
Bernardo de Souza, Giliandro Farias, Frank Neese, et al.
The Journal of Chemical Physics
|
April 24, 2023
Including vibrational effects in magnetic circular dichroism spectrum calculations in the framework of excited state dynamics
Nicolás Foglia, Bernardo De Souza, Dimitrios Maganas, et al.
The Journal of Chemical Physics
|
September 16, 2021
An improved chain of spheres for exchange algorithm
Benjamin Helmich-Paris, Bernardo de Souza, Frank Neese, et al.
Biosensors & Bioelectronics
|
April 12, 2014
Liquid crystal and gold nanoparticles applied to electrochemical immunosensor for cardiac biomarker
Eduardo Zapp, Eduard Westphal, Hugo Gallardo, et al.
Biosensors & Bioelectronics
|
December 5, 2012
PEI-coated gold nanoparticles decorated with laccase: a new platform for direct electrochemistry of enzymes and biosensing applications
Daniela Brondani, Bernardo de Souza, Bruno S Souza, et al.
The Journal of Chemical Physics
|
September 24, 2018
An efficient pair natural orbital based configuration interaction scheme for the calculation of open-shell ionization potentials
Avijit Sen, Bernardo de Souza, Lee M J Huntington, et al.
Page
of 4