M. D. Glossman: search on Z-Library

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1

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

Delgado-Montiel, Tomás, Baldenebro-López, Jesús, Soto-Rojo, Rody, Glossman-Mitnik, Daniel

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2016

Language:

english

File:

PDF, 1.06 MB

english, 2016

2

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

Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel

Journal:

Year:

2019

Language:

english

File:

PDF, 1.10 MB

english, 2019

3

Study of the effect of solvent induced swelling on the resistivity of butadiene based elastomers filled with carbon particles: Part I. Elucidating second order effects

Antonio Carrillo, Ignacio R. Martín-Domínguez, Daniel Glossman, Alfredo Márquez

Journal:

Sensors and Actuators A: Physical

Year:

2005

Language:

english

File:

PDF, 275 KB

english, 2005

4

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

Cervantes-Navarro, Francisco, Glossman-Mitnik, Daniel

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

2013

Language:

english

File:

PDF, 19.31 MB

english, 2013

5

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

Baldenebro-López, Jesús, Castorena-González, José, Flores-Holguín, Norma, Almaral-Sánchez, Jorge, Glossman-Mitnik, Daniel

Journal:

International Journal of Molecular Sciences

Year:

2012

Language:

english

File:

PDF, 1.24 MB

english, 2012

6

Computational Nanochemistry Report on the Oxicams—Conceptual DFT Indices and Chemical Reactivity

Martínez-Araya, Jorge Ignacio, Salgado-Morán, Guillermo, Glossman-Mitnik, Daniel

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 1.30 MB

english, 2013

7

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

Baldenebro-López, Jesús, Castorena-González, José, Flores-Holguín, Norma, Glossman-Mitnik, Daniel

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 508 KB

english, 2014

8

Stabilities of large sodium clusters for different atomic arrangements

Glossman, M. D., Alonso, J. A., Iñiguez, M. P.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 425 KB

english, 1993

9

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

Alvarado-González, Mónica, Flores-Holguín, Norma, Glossman-Mitnik, Daniel

Journal:

International Journal of Photoenergy

Year:

2013

Language:

english

File:

PDF, 1.49 MB

english, 2013

10

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

Martínez-Araya, Jorge I., Glossman-Mitnik, Daniel

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 2.09 MB

english, 2018

11

Supramolecular arrangement and photophysical properties of a dinuclear cyanophenylboronic acid ester

Cárdenas-Valenzuela, A. Jaquelin, Baldenebro-López, Jesús, Guerrero-Álvarez, Jorge A., Höpfl, Herbert, Glossman-Mitnik, Daniel, Campos-Gaxiola, José J., Cruz-Enríquez, Adriana

Journal:

Acta Crystallographica Section C Structural Chemistry

Year:

2018

Language:

english

File:

PDF, 1.19 MB

english, 2018

12

Density Functional Theory || New Insights and Horizons from the Linear Response Function in Conceptual DFT

Glossman-Mitnik, Daniel

Year:

2019

Language:

english

File:

PDF, 3.62 MB

english, 2019

13

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

Obasuyi, Aanuoluwapo Raphael, Glossman-Mitnik, Daniel, Flores-HolguÃn, Norma

Journal:

Journal of Computational Electronics

Year:

2020

Language:

english

File:

PDF, 1.16 MB

english, 2020

14

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

Flores-HolguÃn, Norma, Frau, Juan, Glossman-Mitnik, Daniel

Journal:

Year:

2020

File:

PDF, 38.11 MB

2020

15

Solvents, Ionic Liquids and Solvent Effects || Solvent Effect on a Model of S N Ar Reaction in Conventional and Non-Conventional Solvents

Glossman-Mitnik, Daniel, Maciejewska, Magdalena

Year:

2020

File:

PDF, 350 KB

2020

16

Crystallographic study and molecular orbital calculations of 1,2,5-thiadiazole 1,1-dioxide derivatives

E. E. Castellano, O. E. Piro, J. A. Caram, M. V. Mirifico, S. L. Aimone, E. J. Vasini, M. D. Glossman

Journal:

Journal of Physical Organic Chemistry

Year:

1998

Language:

english

File:

PDF, 528 KB

english, 1998

17

Local and nonlocal density functional calculations of the molecular structure of isomeric thiadiazole monoxides

Daniel Glossman Mitnik, Alfredo Márquez Lucero

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 277 KB

english, 2001

18

Theoretical study of electronic properties of organic photovoltaic materials

Erika Ivonne López-Martínez, Luz María Rodríguez-Valdez, Norma Flores-Holguín, Alfredo Márquez-Lucero, Daniel Glossman-Mitnik

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 446 KB

english, 2009

19

Some applications of Scheidemann-Dreizler's solution of the TFDW equation

M.Daniel Glossman, Eduardo A. Castro

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 580 KB

english, 1990

20

Calculation of 〈p〉 and 〈p−1〉 from variational atomic electron densities

M.Daniel Glossman, Eduardo A. Castro

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 319 KB

english, 1990

21

Variational study of a new approximation for the kinetic energy functional

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 387 KB

english, 1992

22

The adsorption of argon on anatase at low relative pressures

Norton Glossman, M.L Corrin

Journal:

Journal of Colloid and Interface Science

Year:

1967

Language:

english

File:

PDF, 385 KB

english, 1967

23

Incipient manifestation of the shell structure of atoms within the WDA model for the exchange and kinetic energy density functionals

M.D. Glossman, L.C. Balbás, J.A. Alonso

Journal:

Chemical Physics

Year:

1995

Language:

english

File:

PDF, 585 KB

english, 1995

24

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

J. Hernández-Paredes, D. Glossman-Mitnik, H.E. Esparza-Ponce, M.E. Alvarez-Ramos, A. Duarte-Moller

Journal:

Journal of Molecular Structure

Year:

2008

Language:

english

File:

PDF, 442 KB

english, 2008

25

Exploration of the kinetic and thermochemical abilities for the free radical scavenging of two quercetin conformers

Ana María Mendoza-Wilson, Rogerio R. Sotelo-Mundo, René R. Balandrán-Quintana, Daniel Glossman-Mitnik, Marco a. Sántiz-gómez, karina D. García-orozco

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 624 KB

english, 2010

26

Molecular modeling of the melting temperature of a tuberculosis DNA nanobiosensor

D. Glossman-Mitnik, M. Alvarado-González, E. Orrantia-Borunda

Journal:

New Biotechnology

Year:

2009

Language:

english

File:

PDF, 61 KB

english, 2009

27

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

Manuel Alberto Flores-Hidalgo, Diana Barraza-Jiménez, Daniel Glossman-Mitnik

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 501 KB

english, 2011

28

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

Marco Gallo, Alejandra Favila, Daniel Glossman-Mitnik

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 901 KB

english, 2007

29

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

Daniel Glossman-Mitnik

Journal:

Journal of Molecular Graphics and Modelling

Year:

2006

Language:

english

File:

PDF, 192 KB

english, 2006

30

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

J. Hernández-Paredes, Daniel Glossman-Mitnik, O. Hernández-Negrete, H. Esparza-Ponce, M.E. Alvarez R, R. Rodríguez Mijangos, A. Duarte-Moller

Journal:

Journal of Physics and Chemistry of Solids

Year:

2008

Language:

english

File:

PDF, 560 KB

english, 2008

31

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

Ana Marı´a Mendoza-Wilson, Daniel Lardizabal-Gutiérrez, Enrique Torres-Moye, Luis Fuentes-Cobas, René R. Balandrán-Quintana, Alejandro Camacho-Dávila, Armando Quintero-Ramos, Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 791 KB

english, 2007

32

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

Daniel Glossman-Mitnik

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2007

Language:

english

File:

PDF, 284 KB

english, 2007

33

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

Norma Flores-Holguı́n, Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 136 KB

english, 2004

34

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

Luz Marı́a Rodrı́guez-Valdez, Alberto Martı́nez-Villafañe, Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 182 KB

english, 2004

35

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

Ana Marı́a Mendoza-Wilson, Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 160 KB

english, 2004

36

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

Luz María Rodríguez-Valdez, Alberto Martínez-Villafañe, Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 235 KB

english, 2005

37

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

Norma Flores-Holguín, Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 108 KB

english, 2005

38

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

Ana María Mendoza-Wilson, Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 209 KB

english, 2005

39

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

Luz María Rodríguez-Valdez, Alberto Martínez-Villafañe, Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 181 KB

english, 2005

40

CHIH-DFT determination of the reactivity sites of the antiparasitic drug megazol

Norma Flores-Holguín, Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 165 KB

english, 2005

41

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

Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 121 KB

english, 2005

42

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

Ana María Mendoza-Wilson, Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 424 KB

english, 2006

43

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

Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 242 KB

english, 2007

44

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

Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 514 KB

english, 2007

45

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

Norma Flores-Holguín, Luz María Rodríguez-Valdez, Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 64 KB

english, 2008

46

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

Norma Flores-Holguín, A. Aguilar-Elguézabal, L.M. Rodríguez-Valdez, D. Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 639 KB

english, 2008

47

CHIH-DFT computational molecular characterization of phenanthro [9,10-c]-1,2,5-thiadiazole 1,1-dioxide

Norma Flores-Holguín, Luz María Rodríguez-Valdez, Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 730 KB

english, 2008

48

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

Daniel Glossman-Mitnik, Diana Barraza-Jiménez, Alberto Flores-Hidalgo, Luz María Rodríguez-Valdez

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 377 KB

english, 2008

49

Computational note on the calculation of the pKa of fluorescein

Mónica Alvarado-González, Erasmo Orrantia-Borunda, Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 116 KB

english, 2008

50

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

Diana Barraza-Jimenez, Alberto Flores-Hidalgo, Daniel Glossman-Mitnik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 1005 KB

english, 2009