D. Glossman-Mitnik

发表

Interaction of Tamoxifen Analogs With the Pocket Site of Some Hormone Receptors. A Molecular Docking and Density Functional Theory Study

L. Landeros-Martínez, D. Glossman-Mitnik, N. Flores-Holguín, 2018, Front. Chem..

Fractal dimension calculation of a manganese-chromium bimetallic nanocomposite using image processing

A. Lashgari, D. Glossman-Mitnik, S. Ghamami, 2015 .

Optimized structure and thermochemical properties of flavonoids determined by the CHIH(medium)–DFT model chemistry versus experimental techniques

D. Glossman-Mitnik, L. Fuentes-Cobas, A. Mendoza‐Wilson, 2007 .

Synthesis of TiO2 nanorods in the presence of linear DNA plasmid pBR322 by a sol–gel process

C. A. Martínez-Pérez, D. Glossman-Mitnik, P. García-Casillas, 2005 .

Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMET

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2022, Pharmaceuticals.

Conceptual DFT-Based Computational Peptidology of Marine Natural Compounds: Discodermins A–H

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2020, Molecules.

Virtual Screening of Marine Natural Compounds by Means of Chemoinformatics and CDFT-Based Computational Peptidology

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2020, Marine drugs.

A fast and simple evaluation of the chemical reactivity properties of the Pristinamycin family of antimicrobial peptides

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2020 .

Chemical Reactivity Properties of Standard Aromatic Amino Acids Studied by Means of Conceptual Density Functional Theory

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2019 .

Chemical Reactivity Properties, pKa Values, AGEs Inhibitor Abilities and Bioactivity Scores of the Mirabamides A–H Peptides of Marine Origin Studied by Means of Conceptual DFT

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2018, Marine drugs.

DFT studies of functionalized carbon nanotubes and fullerenes as nanovectors for drug delivery of antitubercular compounds

Marco Gallo, Daniel Glossman-Mitnik, D. Glossman-Mitnik, 2007 .

Study of chemical reactivity in relation to experimental parameters of efficiency in coumarin derivatives for dye sensitized solar cells using DFT.

D. Glossman-Mitnik, R. Soto-Rojo, J. Baldenebro-López, 2015, Physical chemistry chemical physics : PCCP.

Morphological investigation and fractal properties of realgar nanoparticles

A. Lashgari, D. Glossman-Mitnik, S. Ghamami, 2015 .

Assessment of the KID Procedure on a Mo–oxo Complex, an Open–Shell System

Jorge I. Martínez-Araya, D. Glossman-Mitnik, D. Glossman‐Mitnik, 2020 .

Computational Molecular Nanoscience Study of the Properties of Copper Complexes for Dye-Sensitized Solar Cells

D. Glossman-Mitnik, N. Flores-Holguín, J. Almaral-Sánchez, 2012, International journal of molecular sciences.

Molecular structure and substitution effects on diphenylanthrazolines for organic semiconductors: A theoretical study

D. Glossman-Mitnik, L. Rodríguez-Valdez, D. Barraza-Jiménez, 2008 .

Molecular Docking and Conceptual DFT-Based Study of Some Potential SARS-CoV-2 Inhibitors

D. Glossman-Mitnik, N. Flores-Holguín, 2020, Computational Molecular Bioscience.

Conceptual DFT as a Novel Chemoinformatics Tool for Studying the Chemical Reactivity Properties of the Amatoxin Family of Fungal Peptides

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2019, Prime Archives in Chemistry.

Evaluation of Annona muricata Acetogenins as Potential Anti-SARS-CoV-2 Agents Through Computational Approaches

W. Cho, D. Glossman-Mitnik, N. Flores-Holguín, 2021, Frontiers in Chemistry.

Virtual Screening of Marine Natural Compounds by Means of Chemoinformatics and CDFT-Based Computational Peptidology

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2020, Marine drugs.

Chemical Reactivity Properties and Bioactivity Scores of the Angiotensin II Vasoconstrictor Octapeptide

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2019, Cheminformatics and its Applications.

Calculation of the Global and Local Conceptual DFT Indices for the Prediction of the Chemical Reactivity Properties of Papuamides A–F Marine Drugs

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2019, Molecules.

Computational Peptidology Assisted by Conceptual Density Functional Theory for the Study of Five New Antifungal Tripeptides

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2019, ACS omega.

DFT study of the effect of substituents on the absorption and emission spectra of Indigo

D. Glossman-Mitnik, Francisco Cervantes-Navarro, 2012, Chemistry Central Journal.

Theoretical Study of the Effect of π-Bridge on Optical and Electronic Properties of Carbazole-Based Sensitizers for DSSCs

D. Glossman-Mitnik, R. Soto-Rojo, J. Baldenebro-López, 2020, Molecules.

Four-Coordinate Monoboron Complexes with 8-Hydroxyquinolin-5-Sulfonate: Synthesis, Crystal Structures, Theoretical Studies, and Luminescence Properties

D. Glossman-Mitnik, H. Höpfl, V. Miranda-Soto, 2022, Crystals.

An insight into reactivity and bioactivity properties of quorum sensing peptides against PDE10A: a computational peptidology approach

D. Glossman-Mitnik, N. Flores-Holguín, R. Amachawadi, 2022, Journal of Molecular Modeling.

Computational simulation of the molecular structure and properties of heterocyclic organic compounds with possible corrosion inhibition properties

D. Glossman-Mitnik, A. Martínez-Villafañe, L. Rodríguez-Valdez, 2005 .

Chemical Reactivity Properties, Drug-Likeness Features and Bioactivity Scores of the Cholecystokinin Peptide Hormone

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2019, Computational Molecular Bioscience.

Computed Local Chemical Reactivity of Melanoidins Red M1 and Red M2 Using Conceptual DFT

D. Glossman-Mitnik, Sift Desk Journals Open Access Journals, J. Frau, 2019 .

CDFT-Based Reactivity Descriptors as a Useful MEDT Chemoinformatics Tool for the Study of the Virotoxin Family of Fungal Peptides

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2019, Molecules.

Chemical Reactivity Theory (CRT) Study of the Melanoidin M8: Local Conceptual Density Functional Theory Descriptors

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2018 .

Chemical Reactivity Theory Applied to the Calculation of the Local Reactivity Descriptors of a Colored Maillard Reaction Product

D. Glossman-Mitnik, J. Frau, D. Glossman‐Mitnik, 2018 .

Conceptual DFT Study of the Local Chemical Reactivity of the Colored BISARG Melanoidin and Its Protonated Derivative

D. Glossman-Mitnik, J. Frau, D. Glossman‐Mitnik, 2018, Front. Chem..

Application of DFT concepts to the study of the chemical reactivity of some resveratrol derivatives through the assessment of the validity of the “Koopmans in DFT” (KID) procedure

D. Glossman-Mitnik, F. Muñoz, J. Frau, 2017 .

OXICAMS: COMPUTATIONAL THERMOCHEMICAL PARAMETERS AND SOLUBILITY

Jorge I. Martínez-Araya, D. Glossman-Mitnik, G. Salgado-Morán, 2013 .

Computational Study of the Chemical Reactivity and Bioactivity Rates of Marine Peptides Hemiasterlin and Its A and B Derivatives Used in the Cancer Treatment through Conceptual Density Functional Theory

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2019, Computational Molecular Bioscience.

An insight into reactivity and bioactivity properties of quorum sensing peptides against PDE10A: a computational peptidology approach

D. Glossman-Mitnik, N. Flores-Holguín, R. Amachawadi, 2022, Journal of Molecular Modeling.

An introductory study of the molecular structure and properties of oligothiadiazoles

D. Glossman-Mitnik, N. Flores-Holguín, 2003 .

Crystallographic study and molecular orbital calculations of thiadiazole derivatives. 2. 3,4-diphenyl-1,2,5-thiadiazole 1-monoxide

A. Márquez-Lucero, D. Glossman-Mitnik, E. Castellano, 2002 .

Crystallographic study and molecular orbital calculations of thiadiazole derivatives. Part 3: 3,4-diphenyl-1,2,5-thiadiazoline 1,1-dioxide, 3,4-diphenyl-1,2,5-thiadiazolidine 1,1-dioxide and 4-ethoxy-5-methyl-3,4-diphenyl-1,2,5-thiadiazoline 1,1-dioxide

A. Márquez-Lucero, D. Glossman-Mitnik, E. Castellano, 2001 .

CHIH-DFT study of the electronic properties and chemical reactivity of quercetin

D. Glossman-Mitnik, A. Mendoza‐Wilson, 2005 .

Electronic Structure of Carotenoids in Natural and Artificial Photosynthesis

D. Glossman-Mitnik, M. Escobedo-Bretado, Francisco Torres-Rivas, 2017 .

A Comparative Study of the Glycating Power of Simple Carbohydrates in the Maillard Reaction by Means of Conceptual DFT Descriptors

D. Glossman-Mitnik, J. Frau, D. Glossman‐Mitnik, 2017 .

Influence of the basis set and correlation method on the calculation of the dipole moments of isomeric thiadiazoles

D. Glossman-Mitnik, 2003 .

Influence of the basis set and correlation method on the calculation of molecular structures: thiadiazoles revisited

A. Márquez-Lucero, D. Glossman-Mitnik, 2001 .

Anticholinesterase activity of Areca Catechu: In Vitro and in silico green synthesis approach in search for therapeutic agents against Alzheimer’s disease

D. Glossman-Mitnik, A. Shati, M. Alfaifi, 2022, Frontiers in Pharmacology.

Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as a potential drug targeting breast cancer: Investigations through computational, molecular docking and conceptual DFT studies

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2022, PloS one.

In Vitro Anticancer Screening, Molecular Docking and Antimicrobial Studies of Triazole-Based Nickel(II) Metal Complexes

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2022, Molecules.

Editorial: Recent advances, new perspectives and applications of conceptual density functional theory

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2022, Frontiers in Chemistry.

Theoretical calculations of molecular dipole moment, polarizability, and first hyperpolarizability of glycine-sodium nitrate

D. Glossman-Mitnik, N. Flores-Holguín, A. Duarte-Moller, 2009 .

Electron injection in anthocyanidin and betalain dyes for dye-sensitized solar cells: a DFT approach

Aanuoluwapo Raphael Obasuyi, D. Glossman-Mitnik, N. Flores-Holguín, 2019, Journal of Computational Electronics.

Integrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug target

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2022, Scientific Reports.

CHIH-DFT computational molecular characterization of acenaphto[1,2-c]-1,2,5-thiadiazole 1,1-dioxide

D. Glossman-Mitnik, 2007 .

Chih-DFT determination of the electrical, optical, and magnetic properties and NICS aromaticity of megazol

D. Glossman-Mitnik, N. Flores-Holguín, 2005 .

CHIH-DFT determination of the molecular structure, infrared and ultraviolet spectra of potentially organic corrosion inhibitors

D. Glossman-Mitnik, A. Martínez-Villafañe, L. Rodríguez-Valdez, 2004 .

CHIH-DFT determination of the molecular structure, infrared and ultraviolet spectra of the antiparasitic drug megazol

D. Glossman-Mitnik, N. Flores-Holguín, 2004 .

A theoretical study of the carbocation formation energy involved in the isomerization of α-pinene

D. Glossman-Mitnik, N. Flores-Holguín, L. Rodríguez-Valdez, 2012 .

Theoretical modifications of the molecular structure of Aurantinidin and Betanidin dyes to improve their efficiency as dye-sensitized solar cells

Aanuoluwapo Raphael Obasuyi, D. Glossman-Mitnik, N. Flores-Holguín, 2020, Journal of Computational Electronics.

Theoretical investigation of the molecular structure and spectroscopic properties of oxicams

D. Glossman-Mitnik, G. Salgado-Morán, A. G. Pacheco, 2017, Journal of Structural Chemistry.

Computational Molecular Nanoscience: A Study of the Molecular Structure and Properties of a RAFT Polymerization Agent

D. Glossman-Mitnik, 2011 .

Computational note on the calculation of the PKa of fluorescein

D. Glossman-Mitnik, E. Orrantia-Borunda, Mónica Alvarado-González, 2008 .

Supramolecular arrangement and photophysical properties of a dinuclear cyanophenylboronic acid ester.

D. Glossman-Mitnik, H. Höpfl, J. Baldenebro-López, 2018, Acta crystallographica. Section C, Structural chemistry.

Preparation, Spectroscopic Characterization, Theoretical Investigations, and In Vitro Anticancer Activity of Cd(II), Ni(II), Zn(II), and Cu(II) Complexes of 4(3H)-Quinazolinone-Derived Schiff Base

R. Veerapur, A. Srinivasan, D. Glossman-Mitnik, 2020, Molecules.

CHIH-DFT theoretical study of isomeric thiatriazoles and their potential activity as corrosion inhibitors

D. Glossman-Mitnik, A. Martínez-Villafañe, L. Rodríguez-Valdez, 2005 .

Computational simulations of the molecular structure and corrosion properties of amidoethyl, aminoethyl and hydroxyethyl imidazolines inhibitors

D. Glossman-Mitnik, A. Martínez-Villafañe, J. González-Rodríguez, 2006 .

Chemical synthesis, in vitro biological evaluation and theoretical investigations of transition metal complexes derived from 2-(((5-mercapto-1H-pyrrol-2-yl)imino) methyl)6-methoxyphenol

R. Veerapur, D. Glossman-Mitnik, N. Flores-Holguín, 2021 .

Preparation, spectroscopic investigations and chemical reactivity properties of a new schiff base ligand and its copper (II) complexes

D. Glossman-Mitnik, J. Frau, G. Shruthi, 2019, Journal of Molecular Structure.

Chemical reactivity and bioactivity properties of the Phallotoxin family of fungal peptides based on Conceptual Peptidology and DFT study

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2019, Heliyon.

Experimental and quantum chemical studies of a novel synthetic prenylated chalcone

D. Glossman-Mitnik, N. Flores-Holguín, G. Nevárez-Moorillón, 2013, Chemistry Central Journal.

Experimental and theoretical study on the molecular structure, covalent and non-covalent interactions of 2,4-dinitrodiphenylamine: X-ray diffraction and QTAIM approach

R. Sotelo-Mundo, R. Carrillo-Torres, M. Álvarez-Ramos, 2017 .

In vitro anticancer activity of 4(3H)-quinazolinone derived Schiff base and its Cu(II), Zn(II) and Cd(II) complexes: Preparation, X-ray structural, spectral characterization and theoretical investigations

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2020 .

Assessment of ten density functionals through the use of local hyper–softness to get insights about the catalytic activity

Jorge I. Martínez-Araya, D. Glossman-Mitnik, 2018, Journal of Molecular Modeling.

Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site: a criticism about the use of net electric charges.

D. Glossman-Mitnik, A. Grand, Jorge Ignacio Martínez-Araya, 2015, Physical chemistry chemical physics : PCCP.

N-((1H-Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine and Its Co(II) and Cu(II) Complexes as Antimicrobial Agents: Chemical Preparation, In Vitro Antimicrobial Evaluation, In Silico Analysis and Computational and Theoretical Chemistry Investigations

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2022, Molecules.

Computational study of Au_4 cluster on a carbon nanotube with and without defects using QM/MM methodology

D. Glossman-Mitnik, M. José-Yacamán, D. Galván, 2012, Journal of Molecular Modeling.

Heteroleptic Cu(I) complexes containing polypyridyl ligands and triphenylphosphine: Synthesis, structure, photophysical properties, DFT studies and applications in co-sensitized solar cells

D. Glossman-Mitnik, M. Parra-Hake, H. Höpfl, 2017 .

Synthesis, structure, characterization and photophysical properties of copper(I) complexes containing polypyridyl ligands

D. Glossman-Mitnik, M. Parra-Hake, H. Höpfl, 2014 .

Computational characterization of sodium selenite using density functional theory

D. Glossman-Mitnik, D. Galván, D. Barraza-Jiménez, 2011, Journal of molecular modeling.

Synthesis, crystal structure, DFT studies and photophysical properties of a copper(I)-triphenylphosphane complex based on trans-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline.

D. Glossman-Mitnik, H. Höpfl, V. Miranda-Soto, 2017, Acta crystallographica. Section C, Structural chemistry.

Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors

D. Glossman-Mitnik, J. Frau, D. Glossman‐Mitnik, 2017, Molecules.

Theoretical modifications of the molecular structure of Aurantinidin and Betanidin dyes to improve their efficiency as dye-sensitized solar cells

Aanuoluwapo Raphael Obasuyi, D. Glossman-Mitnik, N. Flores-Holguín, 2020 .

Computational nanochemistry report on the oxicams--conceptual DFT indices and chemical reactivity.

Jorge I. Martínez-Araya, D. Glossman-Mitnik, G. Salgado-Morán, 2013, The journal of physical chemistry. B.

Novel synthesis, structural analysis, photophysical properties and theoretical study of 2,4,5-tris(2-pyridyl)imidazole

D. Glossman-Mitnik, M. Parra-Hake, H. Höpfl, 2015 .

CHIH-DFT determination of the molecular structure, infrared and ultraviolet spectra of the flavonoid quercetin

D. Glossman-Mitnik, A. Mendoza‐Wilson, 2004 .

Thermal, mechanical, and electronic properties of glycine-sodium nitrate crystal

D. Glossman-Mitnik, A. Duarte-Moller, J. Hernández-Paredes, 2008 .

Band structure, optical properties and infrared spectrum of glycine–sodium nitrate crystal

M. Álvarez-Ramos, D. Glossman-Mitnik, A. Duarte-Moller, 2008 .

Fuel Gas Storage and Separations by Metal−Organic Frameworks: Simulated Adsorption Isotherms for H2 and CH4 and Their Equimolar Mixture

Marco Gallo, Daniel Glossman-Mitnik, D. Glossman-Mitnik, 2009 .

Preparation and Characterization of Cerium (III) Doped Captopril Nanoparticles and Study of their Photoluminescence Properties

A. Lashgari, D. Glossman-Mitnik, S. Ghamami, 2016 .

PREPARATION, IDENTIFICATION AND BIOLOGICAL PROPERTIES OF NEW FLUORIDE NANOCOMPOUNDS

A. Lashgari, D. Glossman-Mitnik, S. Ghamami, 2016 .

Theoretical evaluation of the order of reactivity of transfer agents utilized in RAFT polymerization: group Z

D. Glossman-Mitnik, E. A. Zaragoza-Contreras, Isis Rodríguez-Sánchez, 2009, Journal of molecular modeling.

Theoretical study of the molecular properties and chemical reactivity of (+)-catechin and (−)-epicatechin related to their antioxidant ability

D. Glossman-Mitnik, A. Mendoza‐Wilson, A. Mendoza-Wilson, 2006 .

CHIH-DFT determination of the molecular structure infrared spectra, UV spectra and chemical reactivity of three antitubercular compounds: Rifampicin, Isoniazid and Pyrazinamide

D. Glossman-Mitnik, M. Gallo, Alejandra Favila, 2007, Journal of molecular modeling.

Ab initio study of electron transport in 4-(3-nitro-4-tetrafluorophenylthiolate-ethynyl, phenylethynyl) benzenethiolate

D. Glossman-Mitnik, M. Delgado-Ríos, M. Gallo, 2012, Journal of Molecular Modeling.

Theoretical analysis of anthracene and its carbonyl and carboxyl derivatives using DFT and TD-DFT

D. Glossman-Mitnik, D. Barraza-Jiménez, Alberto Flores-Hidalgo, 2009 .

DFT Study of Polythiophene Energy Band Gap and SubstitutionEffects

D. Glossman-Mitnik, G. Salgado-Morán, M. Bouachrine, 2015 .

Effects of Sulfur Substitutional Impurities on ZnO Structure Using Density Functional Theory

D. Glossman-Mitnik, D. Barraza-Jiménez, M. A. Flores-Hidalgo, 2011 .

Effects of sulfur substitutional impurities on (ZnO)n clusters (n = 4–12) using density functional theory

D. Glossman-Mitnik, D. Barraza-Jiménez, M. A. Flores-Hidalgo, 2011 .

Effects of Moderate Amounts of Sulfur Substitutional Impurities on ZnO Using Density Functional Theory

D. Glossman-Mitnik, D. Barraza-Jiménez, M. A. Flores-Hidalgo, 2011 .

Excited states analysis of sulfur substitutional impurities on (ZnO)6 clusters using DFT and TD-DFT

D. Glossman-Mitnik, M. Hidalgo, D. Jimenez, 2010 .

Theoretical study of electronic properties of organic photovoltaic materials

Norma Flores-Holguín, Luz María Rodríguez-Valdez, Alfredo Márquez-Lucero, 2009, J. Comput. Chem..

An integrated molecular modeling protocol for drug screening based on conceptual density functional theory and chemoinformatics for the study of marine cyclopeptides

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2021, Journal of Molecular Modeling.

TD-DFT/IEFPCM determination of the absorption and emission spectra of DABCYL

D. Glossman-Mitnik, N. Flores-Holguín, E. Orrantia-Borunda, 2010 .

Synthesis, Crystal Structure, DFT Studies and Optical/Electrochemical Properties of Two Novel Heteroleptic Copper(I) Complexes and Application in DSSC

D. Glossman-Mitnik, H. Höpfl, V. Miranda-Soto, 2022, Crystals.

A Brief Performance Test of the M06 Family of Density Functionals for the Prediction of the Maximum Absorption Wavelength of Thioindigo in Several Solvents

D. Glossman-Mitnik, Francisco Cervantes-Navarro, 2017 .

Exploration of Anti-HIV Phytocompounds against SARS-CoV-2 Main Protease: Structure-Based Screening, Molecular Simulation, ADME Analysis and Conceptual DFT Studies

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2022, Molecules.

DFT study of the interaction between the conjugated fluorescein and dabcyl system, using fluorescene quenching method

D. Glossman-Mitnik, N. Flores-Holguín, M. Gallo, 2012, Journal of Molecular Modeling.

Computational prediction of the preferred glycation sites of model helical peptides derived from human serum albumin (HSA) and lysozyme helix 4 (LH4)

D. Glossman-Mitnik, J. Frau, R. Ramis, 2017, Theoretical Chemistry Accounts.

Solvation Thermodynamic Properties of Hydrogen Sulfide in [C4mim][PF6], [C4mim][BF4], and [C4mim][Cl] Ionic Liquids, Determined by Molecular Simulations.

D. Glossman-Mitnik, M. Gallo, Joel A. Sánchez-Badillo, 2015, The journal of physical chemistry. B.

Computational note on the calculation of the dipole moment, polarizability and hyperpolarizability of solanidine

D. Glossman-Mitnik, N. Flores-Holguín, L. Rodríguez-Valdez, 2008 .

CHIH-DFT determination of the dipole moment, polarizability and hyperpolarizability of γ-solanine

D. Glossman-Mitnik, 2007 .

CHIH-DFT determination of the molecular structure and IR and UV spectra of solanidine

D. Glossman-Mitnik, 2006, Journal of molecular modeling.

CHIH-DFT determination of the molecular structure and infrared and ultraviolet spectra of gamma-solanine.

D. Glossman-Mitnik, 2007, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Quantum chemical study of a new class of sensitisers: influence of the substitution of aromatic rings on the properties of copper complexes

D. Glossman-Mitnik, N. Flores-Holguín, J. Castorena-González, 2014 .

Virtual Screening for Potential Phytobioactives as Therapeutic Leads to Inhibit NQO1 for Selective Anticancer Therapy

D. Glossman-Mitnik, N. Flores-Holguín, R. Thimmulappa, 2021, Molecules.

A Combined Molecular Docking and Electronic Structure Study for a Breast Cancer Drug Design

L. Landeros-Martínez, D. Glossman-Mitnik, N. Flores-Holguín, 2018, Molecular Docking.

Comparative study of copper complexes with different anchoring groups by molecular modeling and its application to dye-sensitized solar cells

D. Glossman-Mitnik, N. Flores-Holguín, J. Castorena-González, 2014 .

Molecular design of copper complexes as sensitizers for efficient dye-sensitized solar cells

D. Glossman-Mitnik, N. Flores-Holguín, J. Castorena-González, 2013 .

Theoretical Study of Copper Complexes: Molecular Structure, Properties, and Its Application to Solar Cells

D. Glossman-Mitnik, N. Flores-Holguín, J. Almaral-Sánchez, 2013 .

Molecular Reactivity and Absorption Properties of Melanoidin Blue-G1 through Conceptual DFT

D. Glossman-Mitnik, J. Frau, D. Glossman‐Mitnik, 2018, Molecules.

Computational Prediction of the Protonation Sites of Ac-Lys-(Ala)n-Lys-NH2 Peptides through Conceptual DFT Descriptors

D. Glossman-Mitnik, S. Sastre, J. Frau, 2017, Molecules.

A Molecular Electron Density Theory Study of the Chemical Reactivity of Cis- and Trans-Resveratrol

D. Glossman-Mitnik, F. Muñoz, J. Frau, 2016, Molecules.

Computational characterization of the molecular structure and properties of Dye 7 for organic photovoltaics

D. Glossman-Mitnik, N. Flores-Holguín, J. Castorena-González, 2012, Journal of Molecular Modeling.

Computational characterization of the β,β-carotene molecule

D. Glossman-Mitnik, T. Ruíz-Anchondo, D. Glossman‐Mitnik, 2009 .

Computational Study of 3,4-Diphenyl-1,2,5-Thiadiazole 1-Oxide for Organic Photovoltaics

D. Glossman-Mitnik, D. Glossman‐Mitnik, 2009 .

Computational molecular characterization of the flavonoid rutin

A. Pérez-Hernández, D. Glossman-Mitnik, N. Flores-Holguín, 2010, Chemistry Central journal.

Assessment of the Validity of Some Minnesota Density Functionals for the Prediction of the Chemical Reactivity of the SYBR Green I and Ethidium Bromide Nucleic Acid Stains

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2017 .

Computational Nanochemistry Report of the Molecular Structure, Properties and Chemical Reactivity of Pheophorbide A

D. Glossman-Mitnik, 2014 .

Conceptual DFT Descriptors of Amino Acids with Potential Corrosion Inhibition Properties Calculated with the Latest Minnesota Density Functionals

D. Glossman-Mitnik, J. Frau, D. Glossman‐Mitnik, 2017, Front. Chem..

Synthesis, Computational Pharmacokinetics Report, Conceptual DFT-Based Calculations and Anti-Acetylcholinesterase Activity of Hydroxyapatite Nanoparticles Derived From Acorus Calamus Plant Extract

D. Glossman-Mitnik, N. Flores-Holguín, R. Amachawadi, 2021, Frontiers in Chemistry.

KID Procedure Applied on the [(PY5Me2)MoO]+ Complex

Jorge I. Martínez-Araya, D. Glossman-Mitnik, D. Glossman‐Mitnik, 2020, ACS omega.

Computational Study of Cage Like (ZnO)12 Cluster Using Hybrid and Hybrid Meta Functionals

D. Glossman-Mitnik, D. Galván, D. Barraza-Jiménez, 2013 .

The Indigo Molecule Revisited Again: Assessment of the Minnesota Family of Density Functionals for the Prediction of Its Maximum Absorption Wavelengths in Various Solvents

D. Glossman-Mitnik, Francisco Cervantes-Navarro, 2013 .

Study of low band gap DSSCs based on bridging bithiophene and biphenyl: theoretical investigation

D. Glossman-Mitnik, G. Salgado-Morán, M. Bouachrine, 2015, Journal of the Iranian Chemical Society.

Computational Study of the Chemical Reactivity Properties of the Rhodamine B Molecule

Daniel Glossman-Mitnik, D. Glossman-Mitnik, 2013, ICCS.

Density Functional Theory (DFT) Study of Triphenylamine-Based Dyes for Their Use as Sensitizers in Molecular Photovoltaics

D. Glossman-Mitnik, N. Flores-Holguín, J. Almaral-Sánchez, 2012, International journal of molecular sciences.

Computational molecular characterization of Coumarin-102

D. Glossman-Mitnik, D. Glossman‐Mitnik, 2009 .

Conceptual DFT-Based Computational Peptidology, Pharmacokinetics Study and ADMET Report of the Veraguamides A–G Family of Marine Natural Drugs

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2022, Marine drugs.

Computational peptidology approach to the study of the chemical reactivity and bioactivity properties of Aspergillipeptide D, a cyclopentapeptide of marine origin

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2022, Scientific reports.

A CDFT-Based Computational Peptidology (CDFT-CP) Study of the Chemical Reactivity and Bioactivity of the Marine-Derived Alternaramide Cyclopentadepsipeptide

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2021, Journal of Chemistry.

In Silico Pharmacokinetics, ADMET Study and Conceptual DFT Analysis of Two Plant Cyclopeptides Isolated From Rosaceae as a Computational Peptidology Approach

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2021, Frontiers in Chemistry.

Investigation of Antifungal Properties of Synthetic Dimethyl-4-Bromo-1-(Substituted Benzoyl) Pyrrolo[1,2-a] Quinoline-2,3-Dicarboxylates Analogues: Molecular Docking Studies and Conceptual DFT-Based Chemical Reactivity Descriptors and Pharmacokinetics Evaluation

R. Veerapur, D. Glossman-Mitnik, N. Flores-Holguín, 2021, Molecules.

Computational note on the chemical reactivity of pyrrole derivatives

D. Glossman-Mitnik, N. Flores-Holguín, L. Rodríguez-Valdez, 2009 .

G3-B3 calculation of the molecular structure and descriptors of isomeric thiadiazoles

D. Glossman-Mitnik, 2005 .

Electron injection in anthocyanidin and betalain dyes for dye-sensitized solar cells: a DFT approach

Aanuoluwapo Raphael Obasuyi, D. Glossman-Mitnik, N. Flores-Holguín, 2019, Journal of Computational Electronics.

Theoretical study of chemical reactivity of the main species in the α-pinene isomerization reaction

D. Glossman-Mitnik, N. Flores-Holguín, L. Rodríguez-Valdez, 2008 .

Computational study of the molecular structure and reactive sites of the R and S isomers of persin diene

D. Glossman-Mitnik, A. Mendoza‐Wilson, R. Balandrán-Quintana, 2008 .

Preliminary Evaluation of Lablab purpureus Phytochemicals for Anti-BoHV-1 Activity Using In Vitro and In Silico Approaches

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2023, ACS omega.

Theoretical calculation of the maximum absorption wavelength for Cyanidin molecules with several methodologies

D. Glossman-Mitnik, N. Flores-Holguín, L. Rodríguez-Valdez, 2015 .

Theoretical Study of the Effect of Different π Bridges Including an Azomethine Group in Triphenylamine-Based Dye for Dye-Sensitized Solar Cells

D. Glossman-Mitnik, R. Soto-Rojo, J. Baldenebro-López, 2019, Molecules.

Comparative Study of the Chemical Reactivity of Helical Peptide Models for Protein Glycation

D. Glossman-Mitnik, J. Frau, D. Glossman‐Mitnik, 2017 .

A theoretical quantum study of the intramolecular interactions and chemical reactivity of polymorphs A and B of famotidine in the gas, DMSO, and aqueous phases

D. Glossman-Mitnik, G. Salgado-Morán, L. Mendoza-Huizar, 2016 .

A Conceptual DFT Study of the Chemical Reactivity of Magnesium Octaethylporphyrin (MgOEP) as Predicted by the Minnesota Family of Density Functionals

D. Glossman-Mitnik, F. Muñoz, J. Frau, 2017 .

Computational Nanochemistry Study of the Molecular Structure and Properties of Chlorophyll a

D. Glossman-Mitnik, N. Flores-Holguín, Mónica Alvarado-González, 2013 .

Chemical-Reactivity Properties, Drug Likeness, and Bioactivity Scores of Seragamides A-F Anticancer Marine Peptides: Conceptual Density Functional Theory Viewpoint

Daniel Glossman-Mitnik, Norma Flores-Holguín, Juan Frau, 2019, Comput..

Computational prediction of bioactivity scores and chemical reactivity properties of the Parasin I therapeutic peptide of marine origin through the calculation of global and local conceptual DFT descriptors

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2019, Theoretical Chemistry Accounts.

Local Molecular Reactivity of the Colored Dansylglycine in Water and Dioxane Studied through Conceptual DFT

D. Glossman-Mitnik, J. Frau, D. Glossman‐Mitnik, 2018, Journal of Chemistry.

Computational study of the chemical reactivity of the Blue-M1 intermediate melanoidin

D. Glossman-Mitnik, J. Frau, D. Glossman‐Mitnik, 2018, Computational and Theoretical Chemistry.

Blue M2: an intermediate melanoidin studied via conceptual DFT

D. Glossman-Mitnik, J. Frau, D. Glossman‐Mitnik, 2018, Journal of Molecular Modeling.

Conceptual DFT study of the local chemical reactivity of the dilysyldipyrrolones A and B intermediate melanoidins

D. Glossman-Mitnik, J. Frau, D. Glossman‐Mitnik, 2018, Theoretical Chemistry Accounts.

Computational molecular characterization of the flavonoid Morin and its Pt(II), Pd(II) and Zn(II) complexes

A. Pérez-Hernández, D. Glossman-Mitnik, N. Flores-Holguín, 2011, Journal of molecular modeling.

Density functional theory study of indigo and its derivatives as photosensitizers for dye-sensitized solar cells

D. Glossman-Mitnik, Francisco Cervantes-Navarro, 2013 .

Chemical Reactivity Properties, Solubilities, and Bioactivity Scores of Some Pigments Derived from Carotenoids of Marine Origin through Conceptual DFT Descriptors

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2019, Journal of Chemistry.

Conceptual DFT as a Helpful Chemoinformatics Tool for the Study of the Clavanin Family of Antimicrobial Marine Peptides

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2019, Density Functional Theory Calculations.

Conceptual DFT as a chemoinformatics tool for the study of the Taltobulin anticancer peptide

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2019, BMC Research Notes.

Chemical synthesis, spectroscopic studies, chemical reactivity properties and bioactivity scores of an azepin-based molecule

D. Glossman-Mitnik, J. Frau, J. Castro, 2019, Journal of Molecular Structure.

Computational study of the influence of the π-bridge conjugation order of novel molecular derivatives of coumarins for dye-sensitized solar cells using DFT

D. Glossman-Mitnik, R. Soto-Rojo, J. Baldenebro-López, 2016, Theoretical Chemistry Accounts.

Computational Pharmacokinetics Report, ADMET Study and Conceptual DFT‐Based Estimation of the Chemical Reactivity Properties of Marine Cyclopeptides

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2021, ChemistryOpen.

A Theoretical Study of the Chemical Reactivity of Neohesperidin Dihydrochalcone Through Conceptual DFT Descriptors

D. Glossman-Mitnik, Sift Desk Journals Open Access Journals, F. Muñoz, 2016 .

Nanomaterials for Photoelectrochemical Solar Cells: Computational Molecular Characterization of 3,4-Diphenyl-4-(4-Hydroyphenyl)-1,2,5-Thiadiazoline 1,1-Dioxide

D. Glossman-Mitnik, N. Flores-Holguín, L. Rodríguez-Valdez, 2010 .

Natural Carotenoids as Nanomaterial Precursors for Molecular Photovoltaics: A Computational DFT Study

D. Glossman-Mitnik, N. Flores-Holguín, T. Ruíz-Anchondo, 2010, Molecules.

The IndigoMolecule Revisited Again : Assessment of theMinnesota Family of Density Functionals for the Prediction of Its MaximumAbsorptionWavelengths in Various Solvents

D. Glossman-Mitnik, Francisco Cervantes-Navarro, 2015 .

Quantum chemical study of the effect of π-bridge on the optical and electronic properties of sensitizers for DSSCs incorporating dioxythiophene and thiophene units

D. Glossman-Mitnik, R. Soto-Rojo, J. Baldenebro-López, 2016, Theoretical Chemistry Accounts.

Computational Nutraceutics: Chemical Reactivity Properties of the Flavonoid Naringin by Means of Conceptual DFT

Jorge I. Martínez-Araya, D. Glossman-Mitnik, G. Salgado-Morán, 2013 .

A comparison of the chemical reactivity of naringenin calculated with the M06 family of density functionals

D. Glossman-Mitnik, 2013, Chemistry Central Journal.

Influence on the reactivity properties of the substitution by different halogens on the conjugated backbone of the 1,3,5-triaryl-2-pyrazoline skeleton in relation to the increasing alkyloxy chain length: a conceptual density functional theory study

D. Glossman-Mitnik, N. Flores-Holguín, Asghar Abbas, 2020, Journal of Molecular Modeling.

Molecular insights into the in silico discovery of corilagin from Terminalia chebula as a potential dual inhibitor of SARS-CoV-2 structural proteins.

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2022, Journal of biomolecular structure & dynamics.

Conceptual DFT as a chemoinformatics tool for the study of the Taltobulin anticancer peptide

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2019, BMC Research Notes.

Revisiting the Validation of the KID Methodology through CDFT Descriptors of Fluorescent DNA Staining Dyes

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2021, Challenges and Advances in Chemical Science Vol. 2.

CDFT-based chemical reactivity properties analysis of the fluorine substitution in the selective estrogen receptor modulator (SERM) Tamoxifen

D. Glossman-Mitnik, N. Flores-Holguín, 2023, Theoretical Chemistry Accounts.

Theoretical calculation of uv-vis, ir spectra and reactivity properties of tamoxifen drug: a methodology comparison

D. Glossman-Mitnik, N. Flores-Holguín, E. Orrantia-Borunda, 2017 .

Oxidation degree of a cell membrane model and its response to structural changes, a coarse-grained molecular dynamics approach

D. Glossman-Mitnik, N. Flores-Holguín, Hugo Aceves-Luna, 2020, Journal of biomolecular structure & dynamics.

New Methods of Esterification of Nanodiamonds in Fighting Breast Cancer—A Density Functional Theory Approach

L. Landeros-Martínez, D. Glossman-Mitnik, N. Flores-Holguín, 2017, Molecules.

Exploring the potential and limitations of cyclopeptides as pharmaceutical drugs: a computational peptidology approach to the study of grassypeptolides A-G

D. Glossman-Mitnik, N. Flores-Holguín, J. Frau, 2023, Theoretical Chemistry Accounts.