J. Vásquez-Pérez

发表

Electrochemical and theoretical studies of the interactions of a pyridyl-based corrosion inhibitor with iron clusters (Fe15, Fe30, Fe45, and Fe60)

T. Pandiyan, Julián Cruz-Borbolla, E. García-Ochoa, 2017, Journal of Molecular Modeling.

Mechanosynthesis of Photochromic Oligophenyleneimines: Optical, Electrochemical and Theoretical Studies

V. Reyes-Cruz, T. Pandiyan, Julián Cruz-Borbolla, 2019, Molecules.

The discovery of unexpected isomers in sodium heptamers by Born-Oppenheimer molecular dynamics.

Patrizia Calaminici, Andreas M Köster, José Manuel Vásquez-Pérez, 2009, The Journal of chemical physics.

Synthesis and characterization of azathiaethers macrocyclic rings decorated with one or two 2-pyridylmethyl fragments

Julián Cruz-Borbolla, J. Vásquez-Pérez, Diego Martínez-Otero, 2019, Journal of Molecular Structure.

Gold(I) complexes bearing ring‐fused benzoxazine‐derived triazolylidenes and their use in C–N bond‐forming processes

J. Vásquez-Pérez, Susana Rojas‐Lima, Daniel Mendoza‐Espinosa, 2020 .

Bridged N-Heterocyclic/Mesoionic (NHC/MIC) Heterodicarbenes as Ligands for Transition Metal Complexes.

J. Vásquez-Pérez, G. Negrón-Silva, Daniel Mendoza‐Espinosa, 2017, Inorganic chemistry.

First Principles Computational Biochemistry with deMon2k

D. Salahub, P. Calaminici, A. Vela, 2015 .

Palladium(II) complexes bearing di-(2-picolyl)amine functionalized chrysin fragments. An experimental and theoretical study

Julián Cruz-Borbolla, J. Vásquez-Pérez, Jorge A. López, 2017 .

Contribution of high-energy conformations to NMR chemical shifts, a DFT-BOMD study.

D. Salahub, P. Calaminici, J. Vásquez-Pérez, 2013, Physical chemistry chemical physics : PCCP.

Synthesis and structural characterization of 10 Group metal complexes with anionic tridentate S,N,N donor Schiff bases derived from pyridylbenzothiazolines

Julián Cruz-Borbolla, J. Vásquez-Pérez, J. Alvarado-Rodríguez, 2017 .

Assessment of Simultaneous Global Optimization of Geometry and Total Spin of Small Iron Clusters.

Julián Cruz-Borbolla, J. Vásquez-Pérez, L. A. Zárate-Hernández, 2022, Journal of chemical theory and computation.

Synthesis and Characterization of Amide Stationary Phases for the Determination of Sulfonamides by Sequential Injection Chromatography

E. Barrado, J. Rodríguez, Julián Cruz-Borbolla, 2016 .

deMon2k

Jorge M Del Campo, D. Salahub, P. Calaminici, 2012 .

Transition-state searches in metal clusters by first-principle methods.

P. Calaminici, J. Vásquez-Pérez, A. Köster, 2015, The journal of physical chemistry. A.

Schiff pentadentate ligands based on an [ON2O2] core displaying structural isomerism and their coordination to dibutyltin moieties.

J. Vásquez-Pérez, J. Alvarado-Rodríguez, Diego Martínez-Otero, 2016 .

Activation of aldehydes by exocyclic iridium(i)-η4:π2-diene complexes derived from 1,3-oxazolidin-2-ones.

J. Tamariz, Julián Cruz-Borbolla, J. Vásquez-Pérez, 2016, Dalton transactions.

C–H ⋯Pd interactions in palladium complexes derived from tetrasulfur-difluorinated ligands. Experimental, computational and catalytic studies

Julián Cruz-Borbolla, J. Vásquez-Pérez, Jorge A. López, 2019, Polyhedron.

Synthesis of Ir(III) complexes with Tp(Me2) and acac ligands and their reactivity with electrophiles.

Julián Cruz-Borbolla, J. Vásquez-Pérez, J. Alvarado-Rodríguez, 2015, Dalton transactions.

Benzimidazole ligands in the corrosion inhibition for carbon steel in acid medium: DFT study of its interaction on Fe30 surface

T. Pandiyan, Julián Cruz-Borbolla, E. García-Ochoa, 2016 .

Experimental and theoretical studies of palladium(II) and platinum(II) complexes derived from di-(2-pyridyl)methyl-N,N′-dibenzyldithiocarbamate

J. Vásquez-Pérez, Rosa L. Camacho-Mendoza, Simplicio González-Montiel, 2019, Polyhedron.

Theoretical study: Electronic structure and receptor interaction of four type bis-1,4-dihydropyridine molecules

Julián Cruz-Borbolla, J. Vásquez-Pérez, C. Gómez-Castro, 2018 .

Determination of antibiotics in feedstuff samples by microemulsion electrokinetic chromatography using fullerene as additive

J. Rodríguez, Julián Cruz-Borbolla, J. Vásquez-Pérez, 2018, Electrophoresis.

Synthesis, structural study and biological activity of new derivatives of chrysin containing a 2-mercaptopyridyl or 5-(trifluoromethyl)-2-mercaptopyridyl fragments

Julián Cruz-Borbolla, J. Vásquez-Pérez, J. Alvarado-Rodríguez, 2016 .

Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities

S. Pal, P. Calaminici, J. Vásquez-Pérez, 2015 .

On the interaction of anisole and thioanisole derivatives with gold clusters studied by DFT

Julián Cruz-Borbolla, J. Vásquez-Pérez, Rosa L. Camacho-Mendoza, 2018 .

The melting limit in sodium clusters

P. Calaminici, J. Vásquez-Pérez, A. Köster, 2018, Theoretical Chemistry Accounts.

On the ground state structure of neutral Cun (n = 12, 14, 16, 18, 20) clusters

P. Calaminici, J. Vásquez-Pérez, A. Köster, 2013 .

On the Ground State Structures and Energy Properties of ConPdn (n = 1–10) Clusters

P. Calaminici, J. Vásquez-Pérez, H. Cruz-Martínez, 2016 .

Heat capacities from Born–Oppenheimer molecular dynamics simulations: Al27+ and Al28+

P. Calaminici, J. Vásquez-Pérez, A. Köster, 2013 .

Coordination from Heteroscorpionate Ligand Towards Pd(II) via Pd⋅⋅⋅Hδ−C(sp3) Interaction: Structural and Catalytic Studies

Julián Cruz-Borbolla, J. Vásquez-Pérez, Daniel Mendoza‐Espinosa, 2021, European Journal of Inorganic Chemistry.

Synthesis of Photochromic Oligophenylenimines: Optical and Computational Studies

G. Luna‐Bárcenas, T. Pandiyan, J. Vásquez-Pérez, 2015, Molecules.

Influence of thermostats on the calculations of heat capacities from Born‐Oppenheimer molecular dynamics simulations

P. Calaminici, J. Vásquez-Pérez, A. Köster, 2010 .