List of works - Juvencio Robles

Analysis of the effect of changing the a0 parameter of the Becke3-LYP hybrid functional on the transition state geometries and energy barriers in a series of prototypical reactions

Borazine: to be or not to be aromatic

CdS nanoparticles modified to chalcogen sites: new supramolecular complexes, butterfly bridging, and related optical effects

scientific article

Chapter 10 Electronic structure and reactivity of aromatic metal clusters

Computational study of metal complexes formed with EDTA, melatonin, and its main metabolites: implications in lead intoxication and clues to a plausible alternative treatment

scientific article published on 04 January 2019

Coordination and haptotropic migration of Cr(CO)3 in polycyclic aromatic hydrocarbons: the effect of the size and the curvature of the substrate.

scientific article

Coordination of bis(tricarbonylchromium) complexes to small polycyclic aromatic hydrocarbons: Structure, relative stabilities, and bonding

Density-functional-theory softness kernel

scientific article published on 01 April 1993

Design of Fluorescent Coumarin-Hydroxamic Acid Derivatives as Inhibitors of HDACs: Synthesis, Anti-Proliferative Evaluation and Docking Studies

scientific article published on 04 November 2020

Dinuclear Copper(I) Complexes with Hexaaza Macrocyclic Dinucleating Ligands: Structure and Dynamic Properties

scientific article published on 01 July 2003

Effects of lead and lead–melatonin exposure on protein and gene expression of metal transporters, proteins and the copper/zinc ratio in rats

article

In vitro and in silico evaluation of twelve newly-synthesized 1-acetamide-5-methoxy-2-oxindoles as 5-Ht7 receptor ligands

scientific article published on 13 February 2015

Intramolecular Haptotropic Rearrangements of the Tricarbonylchromium Complex in Small Polycyclic Aromatic Hydrocarbons

Melatonin reduces lead levels in blood, brain and bone and increases lead excretion in rats subjected to subacute lead treatment.

scientific article published on 16 January 2015

New nonlocal exchange-energy functional from a kinetic-energy-density Padé-approximant model

scientific article published on 01 August 1988

Nucleus-independent chemical shift (NICS) profiles in a series of monocyclic planar inorganic compounds

Solubility of functionalized single-wall carbon nanotubes in water: a theoretical study

Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies

scholarly article in RSC Advances, vol. 5 no. 129, 2015

Stability, structural, and magnetic phase diagrams of ternary ferromagnetic 3d-transition-metal clusters with five and six atoms

scientific article published on 01 February 2011

Structural, electronic, and magnetic consequences of O-carbonyl vs O-alkoxy ester coordination in new dicopper complexes containing the Cu2(mu-Cl)2 core

scientific article published in November 2002

Synthesis of 3-tetrazolylmethyl-azepino[4,5-b]indol-4-ones in two reaction steps: (Ugi-azide/N-acylation/SN2)/free radical cyclization and docking studies to a 5-Ht6 model

scientific article published on 21 August 2013

Synthesis of azepino[4,5-b]indol-4-ones via MCR/free radical cyclization and in vitro–in silico studies as 5-Ht6R ligands

scientific article published on 11 March 2016

Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts

scientific article published on 01 December 2009

Understanding the structure, electronic properties, solubility in water, and protein interactions of three novel nano-devices against ovarian cancer: a computational study

Unraveling the origin of the relative stabilities of group 14 M2N2(2+) (M, N = C, Si, Ge, Sn, and Pb) isomer clusters.

scientific article published on 20 September 2013

List of works by Juvencio Robles