List of works - Daniel Glossman-Mitnik

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

scientific article published in December 2016

A conceptual DFT study of the molecular properties of glycating carbonyl compounds

scientific article (publication date: 2017)

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

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

scientific article published on 11 May 2011

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

scientific article published in March 2008

Blue M2: an intermediate melanoidin studied via conceptual DFT

scientific article published on 31 May 2018

CBS-QB3 calculation of quantum chemical molecular descriptors of isomeric thiadiazoles

scientific article

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

scientific article published on 25 July 2019

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

scientific article

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

scientific article

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

scientific article published on 27 January 2007

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

scientific article published on 11 September 2019

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

scientific article published on 28 August 2018

Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors.

scientific article published on 2 February 2017

Chemical Reactivity Theory and Empirical Bioactivity Scores as Computational Peptidology Alternative Tools for the Study of Two Anticancer Peptides of Marine Origin

scientific article published on 21 March 2019

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

scientific article published on 20 August 2019

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

scientific article published on 23 July 2019

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

scientific article published on 13 March 2017

Computational characterization of sodium selenite using density functional theory

scientific article published on 09 June 2010

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

scientific article published on 20 May 2011

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

scientific article published on 14 July 2010

Computational molecular characterization of the flavonoid rutin

scientific article

Computational molecular nanoscience study of the properties of copper complexes for dye-sensitized solar cells

scientific article (publication date: 28 November 2012)

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

scientific article published on 20 May 2013

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

scientific article published on 21 June 2012

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

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

scientific article published on 19 July 2019

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

scientific article published on 11 September 2020

DFT Study of Polythiophene Energy Band Gap and Substitution Effects

scholarly article in Journal of Chemistry, 2015

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

scientific article

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

scientific article published on 17 April 2012

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

scientific article published on April 10, 2012

Electronic structure study using density functional theory in organic dendrimers

scientific article published on 01 December 2010

Experimental and quantum chemical studies of a novel synthetic prenylated chalcone.

scientific article published on 26 January 2013

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

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

scientific article published on 02 March 2018

Natural carotenoids as nanomaterial precursors for molecular photovoltaics: a computational DFT study.

scientific article published on 24 June 2010

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

scientific article

Nonlocal exchange- and kinetic-energy density functionals for electronic systems: Application to atoms and ions

scientific article published on 01 March 1993

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

scientific article published on 16 December 2020

Stabilities of large sodium clusters for different atomic arrangements

scientific article published on 01 February 1993

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

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

scientific article published on 12 August 2020

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

scientific article published on 21 February 2009

Theoretical evaluation of the order of reactivity of transfer agents utilized in RAFT polymerization: part 2: group R.

scientific article

Theoretical study of electronic properties of organic photovoltaic materials

scientific article

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

scientific article published on 20 September 2020

List of works by Daniel Glossman-Mitnik

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

A conceptual DFT study of the molecular properties of glycating carbonyl compounds

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

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

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

Blue M2: an intermediate melanoidin studied via conceptual DFT

CBS-QB3 calculation of quantum chemical molecular descriptors of isomeric thiadiazoles

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

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

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

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

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

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

Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors.

Chemical Reactivity Theory and Empirical Bioactivity Scores as Computational Peptidology Alternative Tools for the Study of Two Anticancer Peptides of Marine Origin

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

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

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

Computational characterization of sodium selenite using density functional theory

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

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

Computational molecular characterization of the flavonoid rutin

Computational molecular nanoscience study of the properties of copper complexes for dye-sensitized solar cells

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

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

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

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

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

DFT Study of Polythiophene Energy Band Gap and Substitution Effects

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

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

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

Electronic structure study using density functional theory in organic dendrimers

Experimental and quantum chemical studies of a novel synthetic prenylated chalcone.

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

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

Natural carotenoids as nanomaterial precursors for molecular photovoltaics: a computational DFT study.

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

Nonlocal exchange- and kinetic-energy density functionals for electronic systems: Application to atoms and ions

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

Stabilities of large sodium clusters for different atomic arrangements

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

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

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

Theoretical evaluation of the order of reactivity of transfer agents utilized in RAFT polymerization: part 2: group R.

Theoretical study of electronic properties of organic photovoltaic materials

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