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Journal of Molecular Modeling
|
May 17, 2026
Assessment of DFT functionals for chiroptical properties of Fe(acac) <math><mmultiscripts><mrow></mrow> <mn>3</mn> <mrow></mrow></mmultiscripts></math> adduct: a study of M(acac) <math><mmultiscripts><mrow></mrow> <mn>3</mn> <mrow></mrow></mmultiscripts></math> (M = Fe and Co) stereoisomers
Nelson H Morgon
ACS Omega
|
November 10, 2025
ForMileS: A Python Open-Source Program to Generate Molecular Structures for Tandem Mass Spectrometry Fragment Ions
Vinicius Kuchenbecker, Nelson H Morgon
Journal of Molecular Modeling
|
January 15, 2021
8<sub>19</sub> molecular knot: a theoretical analysis of the electronic structure using an ONIOM approach
Nelson H Morgon, Aguinaldo R de Souza
Journal of Molecular Modeling
|
July 19, 2024
The influence of basis sets and ansatze building to quantum computing in chemistry
Caio M Porto, Rene Alfonso Nome, Nelson H Morgon
Physical Chemistry Chemical Physics : PCCP
|
June 6, 2022
Theoretical investigation of the cooperative effect of solvent: a case study
Caio M Porto, Lucas C Santana, Nelson H Morgon
Journal of the American Chemical Society
|
June 23, 2005
Computational characterization of the role of the base in the Suzuki-Miyaura cross-coupling reaction
Ataualpa A C Braga, Nelson H Morgon, Gregori Ujaque, et al.
Photochemistry and Photobiology
|
March 3, 2021
Taurine Chloramine and Hydrogen Peroxide as a Potential Source of Singlet Oxygen for Topical Application
Valdecir F Ximenes, Thomaz P Ximenes, Nelson H Morgon, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 28, 2026
Infrared Spectroscopy of Amide Modes in Peptides: Experimental FTIR and QM/MM Protocol Insights
Valdecir F Ximenes, Carmen R de Souza, Aguinaldo R de Souza, et al.
Journal of Molecular Modeling
|
September 5, 2022
Ammonia quantum tunneling in cold rare-gas He and Ar clusters and factorial design approach for methodology evaluation
Caio M Porto, Gabriel de A Barros, Lucas C Santana, et al.
Journal of Colloid and Interface Science
|
September 30, 2017
Photoisomerization induced scission of rod-like micelles unravelled with multiscale modeling
Gabriel Heerdt, Ionut Tranca, Albert J Markvoort, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
Journal of Molecular Modeling
|
May 17, 2026
Assessment of DFT functionals for chiroptical properties of Fe(acac) <math><mmultiscripts><mrow></mrow> <mn>3</mn> <mrow></mrow></mmultiscripts></math> adduct: a study of M(acac) <math><mmultiscripts><mrow></mrow> <mn>3</mn> <mrow></mrow></mmultiscripts></math> (M = Fe and Co) stereoisomers
Nelson H Morgon
ACS Omega
|
November 10, 2025
ForMileS: A Python Open-Source Program to Generate Molecular Structures for Tandem Mass Spectrometry Fragment Ions
Vinicius Kuchenbecker, Nelson H Morgon
Journal of Molecular Modeling
|
January 15, 2021
8<sub>19</sub> molecular knot: a theoretical analysis of the electronic structure using an ONIOM approach
Nelson H Morgon, Aguinaldo R de Souza
Journal of Molecular Modeling
|
July 19, 2024
The influence of basis sets and ansatze building to quantum computing in chemistry
Caio M Porto, Rene Alfonso Nome, Nelson H Morgon
Physical Chemistry Chemical Physics : PCCP
|
June 6, 2022
Theoretical investigation of the cooperative effect of solvent: a case study
Caio M Porto, Lucas C Santana, Nelson H Morgon
Journal of the American Chemical Society
|
June 23, 2005
Computational characterization of the role of the base in the Suzuki-Miyaura cross-coupling reaction
Ataualpa A C Braga, Nelson H Morgon, Gregori Ujaque, et al.
Photochemistry and Photobiology
|
March 3, 2021
Taurine Chloramine and Hydrogen Peroxide as a Potential Source of Singlet Oxygen for Topical Application
Valdecir F Ximenes, Thomaz P Ximenes, Nelson H Morgon, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 28, 2026
Infrared Spectroscopy of Amide Modes in Peptides: Experimental FTIR and QM/MM Protocol Insights
Valdecir F Ximenes, Carmen R de Souza, Aguinaldo R de Souza, et al.
Journal of Molecular Modeling
|
September 5, 2022
Ammonia quantum tunneling in cold rare-gas He and Ar clusters and factorial design approach for methodology evaluation
Caio M Porto, Gabriel de A Barros, Lucas C Santana, et al.
Journal of Colloid and Interface Science
|
September 30, 2017
Photoisomerization induced scission of rod-like micelles unravelled with multiscale modeling
Gabriel Heerdt, Ionut Tranca, Albert J Markvoort, et al.
Page
of 2