Lista de obras -

A study of interaction potentials for H2 adsorption in Single Walled Nano Tubes: a possible way to more realistic predictions

artículo científico publicado en 2014

Amino acid pairing at the N- and C-termini of helical segments in proteins

scientific article published on 01 January 2008

BN-Doped Graphene and Single-Walled Carbon Nanotubes for the Catalysis of SN2 Reactions: Insights from Density Functional Theory Modeling

scientific article published on 17 September 2019

Biomimetic one-pot route to acridine epoxides.

artículo científico publicado en 2014

Comparative density functional theory study on thiacalix[4]arene binding modes for Zn2+ and Cu2+

scientific article published on 01 December 2005

Complexation of alkali metal cations by crown-ether type podands with applications in solvent extraction: insights from quantum chemical calculations

artículo científico publicado en 2011

Contribution of unusual arginine-arginine short-range interactions to stabilization and recognition in proteins

scientific article published on 01 February 1994

Controlling product selection in the photodissociation of formaldehyde: direct quantum dynamics from the S1 barrier

scientific article published on 27 October 2010

Copper acetylacetonate anchored onto amine-functionalised clays

artículo científico publicado en 2007

Dehydration of a polyether type extraction agent and of the corresponding K+ complex: insights into liquid-liquid extraction mechanisms by quantum chemical methods

artículo científico publicado en 2012

Effect of aging and cardiovascular risk factors on receptor Tie1 expression in human erectile tissue.

artículo científico publicado en 2014

Enzymes/non-enzymes classification model complexity based on composition, sequence, 3D and topological indices.

artículo científico publicado en 2008

Intramolecular Hydrogen Bonds in Tip-Functionalized Single-Walled Carbon Nanotubes as pH-Sensitive Gates

artículo científico publicado en 2020

Multi-target QPDR classification model for human breast and colon cancer-related proteins using star graph topological indices.

artículo científico publicado en 2008

The molecular dissociation of formaldehyde at medium photoexcitation energies: A quantum chemistry and direct quantum dynamics study

artículo científico publicado en 2009

Transfer of the K+ Cation Across a Water/Dichloromethane Interface: A Steered Molecular Dynamics Study with Implications in Cation Extraction

scientific article published on 08 February 2012

Unusual Coordination Environment for Barium Cations in Ion Recognition Conducting Poly[Ni(salen)(receptor)] Films

scientific article published on 23 July 2008

Lista de obras de

A study of interaction potentials for H2 adsorption in Single Walled Nano Tubes: a possible way to more realistic predictions

Amino acid pairing at the N- and C-termini of helical segments in proteins

BN-Doped Graphene and Single-Walled Carbon Nanotubes for the Catalysis of SN2 Reactions: Insights from Density Functional Theory Modeling

Biomimetic one-pot route to acridine epoxides.

Comparative density functional theory study on thiacalix[4]arene binding modes for Zn2+ and Cu2+

Complexation of alkali metal cations by crown-ether type podands with applications in solvent extraction: insights from quantum chemical calculations

Contribution of unusual arginine-arginine short-range interactions to stabilization and recognition in proteins

Controlling product selection in the photodissociation of formaldehyde: direct quantum dynamics from the S1 barrier

Copper acetylacetonate anchored onto amine-functionalised clays

Dehydration of a polyether type extraction agent and of the corresponding K+ complex: insights into liquid-liquid extraction mechanisms by quantum chemical methods

Effect of aging and cardiovascular risk factors on receptor Tie1 expression in human erectile tissue.

Enzymes/non-enzymes classification model complexity based on composition, sequence, 3D and topological indices.

Intramolecular Hydrogen Bonds in Tip-Functionalized Single-Walled Carbon Nanotubes as pH-Sensitive Gates

Multi-target QPDR classification model for human breast and colon cancer-related proteins using star graph topological indices.

The molecular dissociation of formaldehyde at medium photoexcitation energies: A quantum chemistry and direct quantum dynamics study

Transfer of the K+ Cation Across a Water/Dichloromethane Interface: A Steered Molecular Dynamics Study with Implications in Cation Extraction

Unusual Coordination Environment for Barium Cations in Ion Recognition Conducting Poly[Ni(salen)(receptor)] Films