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Journal of Chemical Theory and Computation
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November 20, 2015
Complementarity of QTAIM and ELF Partitions: Deeper Understanding of the Anomeric Effect
David Ferro-Costas, Ricardo A Mosquera
Frontiers in Chemistry
|
February 13, 2020
A Combined Systematic-Stochastic Algorithm for the Conformational Search in Flexible Acyclic Molecules
David Ferro-Costas, Antonio Fernández-Ramos
The Journal of Physical Chemistry. A
|
December 11, 2012
Influence of the O-protonation in the O═C-O-Me Z preference. A QTAIM study
David Ferro-Costas, Ricardo A Mosquera
Physical Chemistry Chemical Physics : PCCP
|
February 24, 2015
Revisiting Lewis dot structure weightings: a pair density perspective
David Ferro-Costas, Ricardo A Mosquera
Physical Chemistry Chemical Physics : PCCP
|
September 26, 2015
Excluding hyperconjugation from the Z conformational preference and investigating its origin: formic acid and beyond
David Ferro-Costas, Ricardo A Mosquera
The Journal of Physical Chemistry. A
|
January 29, 2013
Anomeric effect in halogenated methanols: a quantum theory of atoms in molecules study
David Ferro-Costas, Antonio Vila, Ricardo A Mosquera
Physical Chemistry Chemical Physics : PCCP
|
November 3, 2020
Chemical reactivity from the vibrational ground-state level. The role of the tunneling path in the tautomerization of urea and derivatives
Irea Mosquera-Lois, David Ferro-Costas, Antonio Fernández-Ramos
Journal of Cheminformatics
|
December 25, 2021
TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids
David Ferro-Costas, Irea Mosquera-Lois, Antonio Fernández-Ramos
Journal of Cheminformatics
|
March 15, 2022
Correction to: TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids
David Ferro-Costas, Irea Mosquera-Lois, Antonio Fernandez-Ramos
Journal of Computational Chemistry
|
March 11, 2014
Electronegativity estimator built on QTAIM-based domains of the bond electron density
David Ferro-Costas, Ignacio Pérez-Juste, Ricardo A Mosquera
Page
of 2
Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
November 20, 2015
Complementarity of QTAIM and ELF Partitions: Deeper Understanding of the Anomeric Effect
David Ferro-Costas, Ricardo A Mosquera
Frontiers in Chemistry
|
February 13, 2020
A Combined Systematic-Stochastic Algorithm for the Conformational Search in Flexible Acyclic Molecules
David Ferro-Costas, Antonio Fernández-Ramos
The Journal of Physical Chemistry. A
|
December 11, 2012
Influence of the O-protonation in the O═C-O-Me Z preference. A QTAIM study
David Ferro-Costas, Ricardo A Mosquera
Physical Chemistry Chemical Physics : PCCP
|
February 24, 2015
Revisiting Lewis dot structure weightings: a pair density perspective
David Ferro-Costas, Ricardo A Mosquera
Physical Chemistry Chemical Physics : PCCP
|
September 26, 2015
Excluding hyperconjugation from the Z conformational preference and investigating its origin: formic acid and beyond
David Ferro-Costas, Ricardo A Mosquera
The Journal of Physical Chemistry. A
|
January 29, 2013
Anomeric effect in halogenated methanols: a quantum theory of atoms in molecules study
David Ferro-Costas, Antonio Vila, Ricardo A Mosquera
Physical Chemistry Chemical Physics : PCCP
|
November 3, 2020
Chemical reactivity from the vibrational ground-state level. The role of the tunneling path in the tautomerization of urea and derivatives
Irea Mosquera-Lois, David Ferro-Costas, Antonio Fernández-Ramos
Journal of Cheminformatics
|
December 25, 2021
TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids
David Ferro-Costas, Irea Mosquera-Lois, Antonio Fernández-Ramos
Journal of Cheminformatics
|
March 15, 2022
Correction to: TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids
David Ferro-Costas, Irea Mosquera-Lois, Antonio Fernandez-Ramos
Journal of Computational Chemistry
|
March 11, 2014
Electronegativity estimator built on QTAIM-based domains of the bond electron density
David Ferro-Costas, Ignacio Pérez-Juste, Ricardo A Mosquera
Page
of 2