Personal information

computational chemistry

Biography

B.S. in Industrial Chemistry, 1990, Universidad Autónoma de Nuevo León
PhD in Chemistry, 1997, Virginia Tech

Activities

Employment (1)

Universidad Autónoma de Nuevo León: San Nicolás De Los Garza, Nuevo León, MX

2004-02-16 to present | Profesor/Investigador (FACULTAD DE CIENCIAS QUIMICAS)
Employment
Source: check_circle
Revistas UANL

Education and qualifications (2)

Virginia Polytechnic Institute and State University: Blacksburg, VA, US

1996-06-30 | PhD in Chemistry (Chemistry)
Education
Source: Self-asserted source
Victor M. Rosas-Garcia

Universidad Autónoma de Nuevo León Facultad de Ciencias Químicas: San Nicolás de los Garza, NL, MX

1986-09 to 1990-06 | BS in Industrial Chemistry (Química Industrial)
Education
Source: Self-asserted source
Victor M. Rosas-Garcia

Professional activities (3)

Royal Society of Chemistry: London, GB

2015-01-01 to present | Full Member
Membership
Source: Self-asserted source
Victor M. Rosas-Garcia

Consejo Nacional de Ciencia y Tecnología: Cd. de México, MX

2020-01-01 | National Researcher level I (SNI I)
Distinction
Source: Self-asserted source
Victor M. Rosas-Garcia

Secretaría de Educación Pública: Cd. de México, MX

2019-08-14 | Perfil Deseable PRODEP
Distinction
Source: Self-asserted source
Victor M. Rosas-Garcia

Works (24)

Calcium clusters optimized structures.

2024-10-30 | Dataset | Author
SOURCE-WORK-ID:

27342147

Contributors: Victor M. Rosas-Garcia
Source: check_circle
figshare

Energetics of the non-covalent interactions in the acetonechloroform system by MP2/CBS quantum chemical calculations

2023-03-13 | Preprint
Contributors: Victor M. Rosas-Garcia; Cristofer Adrián Alanís-Cuevas
Source: check_circle
Crossref

Theoretical Modeling of Photocatalytic Degradation Mechanism of Ethylene Over TiO2

IEEE Transactions on NanoBioscience
2022-01 | Journal article
Contributors: Victor Manuel Rosas-Garcia; Alberto Garcia-Pastrana; Isabel del Carmen Saenz-Tavera
Source: check_circle
Crossref

Ab initio calculations and reduced density gradient analyses of the structure and energetics of hydrated calcium fluoride and calcium carbonate

Physical Chemistry Chemical Physics
2019 | Journal article
Contributors: Isabel del Carmen Sáenz-Tavera; Victor M. Rosas-García
Source: check_circle
Crossref

Role of hydrogen bonding in the conformations of lidocaine, mepivacaine and bupivacaine under aqueous solvation

Computational and Theoretical Chemistry
2018 | Journal article
EID:

2-s2.0-85054682234

Contributors: Sáenz-Tavera, I.D.C.; Rosas-García, V.M.
Source: Self-asserted source
Victor M. Rosas-Garcia via Scopus - Elsevier

Erratum to Microsolvation and hydration enthalpies of CaC<inf>2</inf>O<inf>4</inf>(H<inf>2</inf>O)<inf>n</inf> (n = 0-16) and C<inf>2</inf>O<inf>4</inf><sup>2-</sup>(H<inf>2</inf>O)<inf>n</inf> (n = 0-14): an ab initio study (J Mol Model, Doi 10.1007/s00894-012-1707-6)

Journal of Molecular Modeling
2016 | Journal article
EID:

2-s2.0-84977085862

Contributors: Rosas-García, V.M.; del Carmen Sáenz-Tavera, I.; Rodríguez-Herrera, V.J.; Garza-Campos, B.R.
Source: Self-asserted source
Victor M. Rosas-Garcia via Scopus - Elsevier

Substituent Inductive Effects on the Electrochemical Oxidation of Flavonoids Studied by Square Wave Voltammetry and Ab Initio Calculations

Molecules (Basel, Switzerland)
2016 | Journal article
EID:

2-s2.0-85016925526

Contributors: Arroyo-Currás, N.; Rosas-García, V.M.; Videa, M.
Source: Self-asserted source
Victor M. Rosas-Garcia via Scopus - Elsevier

Substituent Inductive Effects on the Electrochemical Oxidation of Flavonoids Studied by Square Wave Voltammetry and Ab Initio Calculations

Molecules
2016-10 | Journal article
Source: check_circle
Multidisciplinary Digital Publishing Institute
grade
Preferred source (of 3)‎

Microsolvation and hydration enthalpies of CaS<inf>2</inf>O<inf>3</inf>(H<inf>2</inf>O)<inf>n</inf>(n = 0–19) and S<inf>2</inf>O<inf>3</inf><sup>2−</sup>(H<inf>2</inf>O)<inf>n</inf>(n = 0–16): an ab initio study

Journal of Molecular Modeling
2015 | Journal article
EID:

2-s2.0-84925855882

Contributors: Rosas-García, V.M.; Sáenz-Tavera, I.C.; Rojas-Unda, M.R.
Source: Self-asserted source
Victor M. Rosas-Garcia via Scopus - Elsevier

Erratum to: Onset of Amorphous Structure in CaCO3: Geometric and Electronic Structures of (CaCO3)n (n = 2-7) Clusters by Ab Initio Calculations (J Clust Sci, (2012) 23, (203-219), DOI 10.1007/s10876-011-0420-4)

Journal of Cluster Science
2014 | Journal article
EID:

2-s2.0-84892889998

Contributors: Rosas-García, V.M.; del Carmen Sáenz-Tavera, I.; Cantú-Morales, D.E.
Source: Self-asserted source
Victor M. Rosas-Garcia via Scopus - Elsevier

Not all carboxylates are created equal: Differences in interaction of carboxylated peptides with a CaCO3 dimer

Biophysical Chemistry
2014-08 | Journal article
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

Microsolvation and hydration enthalpies of CaC2O4(H2O) (n) (n=0-16) and C2O4 (2-)(H2O) (n) (n=0-14): an ab initio study

Journal of Molecular Modeling
2013 | Journal article
DOI:

10.1007/s00894-012-1707-6

Contributors: Rosas-Garcia, Victor M.; del Carmen Saenz-Tavera, Isabel; Janeth Rodriguez-Herrera, Veronica; Raymundo Garza-Campos, Benjamin
Source: Self-asserted source
Victor M. Rosas-Garcia via ResearcherID
grade
Preferred source (of 2)‎

Onset of Amorphous Structure in CaCO3: Geometric and Electronic Structures of (CaCO3)(n) (n=2-7) Clusters by Ab Initio Calculations

Journal of Cluster Science
2012 | Journal article
DOI:

10.1007/s10876-011-0420-4

Contributors: Rosas-Garcia, Victor M.; del Carmen Saenz-Tavera, Isabel; Cantu-Morales, David E.
Source: Self-asserted source
Victor M. Rosas-Garcia via ResearcherID
grade
Preferred source (of 2)‎

Ring puckering in group 14 beta-diketiminate chlorometallylenes is of quantum-mechanical origin

Polyhedron
2012 | Journal article
DOI:

10.1016/j.poly.2012.05.011

Contributors: Rosas-Garcia, Victor M.; Jimenez-Perez, Victor M.
Source: Self-asserted source
Victor M. Rosas-Garcia via ResearcherID
grade
Preferred source (of 2)‎

Potential Oxygen-carrying Complexes by Design

2012-09-30 | Journal article
ISSN:

2007-1183

Source: Self-asserted source
Victor M. Rosas-Garcia

Molecular Dynamics - Theoretical Developments and Applications in Nanotechnology and Energy

2012-04-05 | Book chapter
DOI:

10.5772/35741

Source: Self-asserted source
Victor M. Rosas-Garcia

The electronic structure of substituted iminoboranes

Computational and Theoretical Chemistry
2011 | Journal article
DOI:

10.1016/j.comptc.2011.04.010

Contributors: Rosas-Garcia, Victor M.
Source: Self-asserted source
Victor M. Rosas-Garcia via ResearcherID
grade
Preferred source (of 2)‎

A computational study of axial vs. equatorial preferences of phenyl-substituted phosphorinane oxides

Journal of Molecular Structure-Theochem
2010 | Journal article
DOI:

10.1016/j.theochem.2010.07.039

Contributors: Rosas-Garcia, Victor M.; Lopez-Cortina, Susana T.; Chavarria-Resendez, Ariadna
Source: Self-asserted source
Victor M. Rosas-Garcia via ResearcherID
grade
Preferred source (of 2)‎

Computational study on the dirnerization of indoloquinolizines

Journal of Molecular Structure-Theochem
2005 | Journal article
DOI:

10.1016/j.theochem.2005.01.022

Contributors: Rosas-Garcia, V. M.; Alfaro-Lopez, T.
Source: Self-asserted source
Victor M. Rosas-Garcia via ResearcherID
grade
Preferred source (of 2)‎

The aminoboranylidene-iminoborane isomerization

Journal of Chemical Physics
2003 | Journal article
DOI:

10.1063/1.1620498

Contributors: Rosas-Garcia, V. M.; Crawford, T. D.
Source: Self-asserted source
Victor M. Rosas-Garcia via ResearcherID
grade
Preferred source (of 2)‎

The electron cusp condition and the virial ratio as indicators of basis set quality

Journal of Chemical Physics
2003 | Journal article
DOI:

10.1063/1.1535440

Contributors: Rosas-Garcia, V. M.; Crawford, T. D.
Source: Self-asserted source
Victor M. Rosas-Garcia via ResearcherID
grade
Preferred source (of 2)‎

Conformationally-dependent free energies of solvation. An explanation for the large group-transfer potential of acetylcarnitine

Journal of the American Chemical Society
1997 | Journal article
DOI:

10.1021/ja963804g

Part of ISSN:

0002-7863

Contributors: RosasGarcia, V. M.; Gandour, R. D.
Source: Self-asserted source
Victor M. Rosas-Garcia via ResearcherID
grade
Preferred source (of 2)‎

MOLECULES FOR INTRAMOLECULAR RECOGNITION .2. SYNTHESIS AND STRUCTURES OF DINAPHTHYLETHYNES AND ARYLNAPHTHYLETHYNES

Tetrahedron Letters
1992 | Journal article
DOI:

10.1016/s0040-4039(00)79007-1

Part of ISSN:

0040-4039

Contributors: Prince, P.; Evans, K. L.; Rosasgarcia, V. M.; Gandour, R. D.; Fronczek, F. R.
Source: Self-asserted source
Victor M. Rosas-Garcia via ResearcherID
grade
Preferred source (of 2)‎

Towards the Design of Carnitine Acyltransferase Inhibitors: Modeling the Conformational Behavior of (R)-Carnitine, (R)-Acetylcarnitine, Morpholinium rings, and 2-Oxo-1,3,6-dioxazaphosphacinium rings.

Dissertation or Thesis
Contributors:
Source: Self-asserted source
Victor M. Rosas-Garcia

Peer review (15 reviews for 9 publications/grants)

Review activity for ACS omega. (1)
Review activity for Colloid and polymer science. (1)
Review activity for Journal of cluster science. (3)
Review activity for Journal of molecular modeling. (2)
Review activity for Journal of molecular structure. (2)
Review activity for Molecular physics. (2)
Review activity for The journal of physical chemistry letters. (2)
Review activity for The journal of physical chemistry. (1)
Review activity for The journal of physical chemistry. (1)