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1

Is the Fukui Function a Right Descriptor of Hard−Hard Interactions?

Chattaraj, Pratim K., Melin, Junia, Aparicio, Felipe, Subramanian, Venkatesan, Galván, Marcelo

Journal:

Journal of Physical Chemistry A

Année:

2004

Langue:

english

Fichier:

PDF, 228 KB

english, 2004

2

Toxicity of insecticides to the sweetpotato whitefly (Hemiptera: Aleyrodidae) and its natural enemies

Leandro Bacci, André LB Crespo, Tederson L Galvan, Eliseu JG Pereira, Marcelo C Picanço, Gerson A Silva, Mateus Chediak

Journal:

Pest Management Science

Année:

2007

Langue:

english

Fichier:

PDF, 146 KB

english, 2007

3

Assessment Study of K-ɛ Turbulence Models and Near-Wall Modeling for Steady State Swirling Flow Analysis in Draft Tube Using Fluent

Galván, Sergio, Reggio, Marcelo, Guibault, Francois

Journal:

Engineering Applications of Computational Fluid Mechanics

Année:

2011

Langue:

english

Fichier:

PDF, 1.54 MB

english, 2011

4

[IEEE 2018 IEEE Conference on Virtual Reality and 3D User Interfaces (VR) - Tuebingen/Reutlingen, Germany (2018.3.18-2018.3.22)] 2018 IEEE Conference on Virtual Reality and 3D User Interfaces (VR) - Augmented Reality Visualization of Joint Movements for Physical Examination and Rehabilitation

Debarba, Henrique Galvan, de Oliveira, Marcelo Elias, Ladermann, Alexandre, Chague, Sylvain, Charbonnier, Caecilia

Année:

2018

Langue:

english

Fichier:

PDF, 2.01 MB

english, 2018

5

Aryl hydrocarbon receptor polymorphism modulates DMBA-induced inflammation and carcinogenesis in phenotypically selected mice

Vinicius R.C. De Souza, Wafa K. Cabrera, Antonella Galvan, Orlando G. Ribeiro, Marcelo De Franco, Francisca Vorraro, Nancy Starobinas, Solange Massa, Tommaso A. Dragani, Olga M. Ibañez

Journal:

International Journal of Cancer

Année:

2009

Langue:

english

Fichier:

PDF, 234 KB

english, 2009

6

DFT—Quantum chemical study of the HZSM-5-cyclohexene interaction pathways

Angeles Cuán, José Manuel Martínez-Magadán, Isidoro García-Cruz, Marcelo Galván

Journal:

Journal of Molecular Catalysis A: Chemical

Année:

2005

Langue:

english

Fichier:

PDF, 455 KB

english, 2005

7

Two state reactivity mechanism for the rearrangement of hydrogen peroxynitrite to nitric acid

Renato Contreras, Marcelo Galván, Mónica Oliva, Vincent S. Safont, Juan Andrés, Doris Guerra, Arie Aizman

Journal:

Chemical Physics Letters

Année:

2008

Langue:

english

Fichier:

PDF, 400 KB

english, 2008

8

Charge transfer and adsorption energies in the iodine–Pt(1 1 1) interaction

Alexandre Tkatchenko, Nikola Batina, Andrés Cedillo, Marcelo Galván

Journal:

Surface Science

Année:

2005

Langue:

english

Fichier:

PDF, 267 KB

english, 2005

9

A direct evaluation of regional Fukui functions in molecules

Renato R. Contreras, Patricio Fuentealba, Marcelo Galván, Patricia Pérez

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 108 KB

english, 1999

10

Dynamic NMR and X-ray diffraction study of (N-B)-diphenyl(2-aminoethoxy) borane derivatives of ephedrines and pseudoephedrines

Herbert Höpfl, Norberto Farfán, Dolores Castillo, Rosa Santillan, Rosalinda Contreras, Francisco Javier Martínez-Martínez, Marcelo Galván, Rodolfo Alvarez, Lilia Fernández, Sabine Halut, Jean-Claude D

Journal:

Journal of Organometallic Chemistry

Année:

1997

Langue:

english

Fichier:

PDF, 1.07 MB

english, 1997

11

Local HSAB principle in the conjugate addition of p-substituted thiophenols to cyclohexenone

Rocío Meza, Bárbara Gordillo, Marcelo Galván

Journal:

International Journal of Quantum Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 126 KB

english, 2005

12

Nuclear Fukui functions from nonintegral electron number calculations

Carlos Cárdenas, Eduardo Chamorro, Marcelo Galván, Patricio Fuentealba

Journal:

International Journal of Quantum Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 153 KB

english, 2007

13

On the oscillatory behavior of the chemical potential of neutral atoms

Alberto Vela, Marcelo Galván, José Luis Gázquez

Journal:

International Journal of Quantum Chemistry

Année:

1988

Langue:

english

Fichier:

PDF, 300 KB

english, 1988

14

Theoretical study of three-body nonadditive interactions for the H2S-(H2O)2system

Octavio Novaro, Andrej Leś, Marcelo Galván, Guillermo Conde

Journal:

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

Année:

1983

Langue:

english

Fichier:

PDF, 844 KB

english, 1983

15

A philicity based analysis of adsorption of small molecules in zeolites

Angeles Cuán, Marcelo Galván, Pratim Kumar Chattaraj

Journal:

Journal of Chemical Sciences

Année:

2005

Langue:

english

Fichier:

PDF, 74 KB

english, 2005

16

Comparison between the frozen core and finite differences approximations for the generalized spin-dependent global and local reactivity descriptors in small molecules

Jorge Garza, Rubicelia Vargas, Andrés Cedillo, Marcelo Galván, Pratim Kumar Chattaraj

Journal:

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

Année:

2006

Langue:

english

Fichier:

PDF, 263 KB

english, 2006

17

First record of the temperate speciesDaphnia curvirostrisEylmann, 1887 emend. Johnson, 1952 (Cladocera: Daphniidae) in Mexico and its demographic characteristics in relation to algal food density

S. Nandini, Marcelo Silva-Briano, Gerardo García García, S. S. S. Sarma, Araceli Adabache-Ortiz, Ricardo Galván de la Rosa

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 445 KB

english, 2009

18

Conformational analysis of p-X-anilino dioxaphosphinanes. Substituent effects on 31P and 15N NMR signals and on negative hyperconjugation (n–σ*)

Zaira Domínguez, Marcelo Galván, Ma. Teresa Cortez, Magali Salas, Rocío Meza, Marco A. Leyva-Ramirez, Barbara Gordillo

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 639 KB

english, 2010

19

Soft–Soft interactions in the protein–protein recognition process: The K+ channel-charybdotoxin case

Felipe Aparicio, Nelly González-Rivas, Joel Ireta, Arturo Rojo, Laura I. Escobar, Andrés Cedillo, Marcelo Galván

Journal:

International Journal of Quantum Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 917 KB

english, 2012

20

Chemical reactivity in density functional theory: the N-differentiability problem

José L. Gázquez, Marcelo Galván, Alberto Vela

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1990

Langue:

english

Fichier:

PDF, 565 KB

english, 1990

21

Local softness and chemical reactivity of maleimide: nucleophilic addition

Francisco Méndez, Marcelo Galván, Andoni Garritz, Alberto Vela, José Gàzquez

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1992

Langue:

english

Fichier:

PDF, 605 KB

english, 1992

22

Ab initio study of substituted 2-aminoethylborinates

Herbert Höpfl, Marcelo Galván, Norberto Farfán, Rosa Santillan

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1998

Langue:

english

Fichier:

PDF, 975 KB

english, 1998

23

Special Issue: Mexican Theoretical Physical Chemistry Meetings

J. Raúl Álvarez-Idaboy, Marcelo Galván, Alberto Vela, Claudio M. Zicovich-Wilson

Journal:

International Journal of Quantum Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 161 KB

english, 2012

24

Transcriptome of normal lung distinguishes mouse lines with different susceptibility to inflammation and to lung tumorigenesis

Marcelo De Franco, Francesca Colombo, Antonella Galvan, Loris De Cecco, Elena Spada, Silvano Milani, Olga M. Ibanez, Tommaso A. Dragani

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 1.67 MB

english, 2010

25

HLA DQA10501 and DQB102 in Cuban Celiac Patients

Alberto Cintado, Luis Sorell, José A. Galván, Luis Martínez, Carlos Castañeda, Trini Fragoso, Hamlet Camacho, Annia Ferrer, Osmel Companioni, Jesús Benitez, Marcelo Nazábal, Lidia I. Novoa, Marta Dueñ

Journal:

Human Immunology

Année:

2006

Langue:

english

Fichier:

PDF, 80 KB

english, 2006

26

Peptide sr11a from Conus spurius is a novel peptide blocker for Kv1 potassium channels

Manuel B. Aguilar, Liliana I. Pérez-Reyes, Zinaeli López, Edgar P. Heimer de la Cotera, Andrés Falcón, Cicerón Ayala, Marcelo Galván, Carolina Salvador, Laura I. Escobar

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 484 KB

english, 2010

27

Dimerization of thymol blue in solution: Theoretical evidence

Patricia Balderas-Hernández, Rubicelia Vargas, Alberto Rojas-Hernández, Ma. Teresa Ramírez-Silva, Marcelo Galván

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 1014 KB

english, 2007

28

Hardness and softness in the ab initio study of polyatomic systems

Galván, Marcelo, Dal Pino, Arnaldo, Joannopoulos, John D.

Journal:

Physical Review Letters

Année:

1993

Langue:

english

Fichier:

PDF, 165 KB

english, 1993

29

Chemical reactivity in spin-polarized density functional theory

Galvan, Marcelo, Vela, Alberto, Gazquez, Jose L.

Journal:

Journal of Physical Chemistry

Année:

1988

Langue:

english

Fichier:

PDF, 552 KB

english, 1988

30

Structural Transitions in the Polyalanine α-Helix under Uniaxial Strain

Ireta, Joel, Neugebauer, Jörg, Scheffler, Matthias, Rojo, Arturo, Galván, Marcelo

Journal:

Journal of the American Chemical Society

Année:

2005

Langue:

english

Fichier:

PDF, 177 KB

english, 2005

31

On the Stability of Half-Filled Shells

Vargas, Rubicelia, Galván, Marcelo

Journal:

Journal of Physical Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 289 KB

english, 1996

32

Silent celiac disease in a cohort of healthy adults

Galván, José A., Lemos, Gilda, Fernández de Cossio, María E., Ruenes, Caridad, Martínez, Yadina, Tejeda, Yelaine, Roca, Juan, Palenzuela, Daniel O., Novoa, Lidia I., Nazabal, Marcelo

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 78 KB

english, 2009

33

DFT study of the adsorption of the corrosion inhibitor 2-mercaptoimidazole onto Fe(100) surface

Radilla, Juan, Negrón-Silva, Guillermo E., Palomar-Pardavé, Manuel, Romero-Romo, Mario, Galván, Marcelo

Journal:

Electrochimica Acta

Année:

2013

Langue:

english

Fichier:

PDF, 1.22 MB

english, 2013

34

Genetic control of renal tumorigenesis by the mouseRtm1locus

Jensen, José, Galvan, Antonella, Borrego, Andrea, Hanna Koury Cabrera, Wafa, Ribeiro, Orlando, Starobinas, Nancy, De Franco, Marcelo, Colecchia, Maurizio, Bertolotti, Alessia, Dragani, Tommaso, Martin

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 358 KB

english, 2013

35

Substituent Effects

Chattaraj, Pratim K., González-Rivas, Nelly, Matus, Myrna H., Galván, Marcelo

Journal:

Journal of Physical Chemistry A

Année:

2005

Langue:

english

Fichier:

PDF, 102 KB

english, 2005

36

The Role of the Protons and the Electrostatic Potential in the Reactivity of the (110) Sulfated Zirconia Surface

Ireta, Joel, Aparicio, Felipe, Viniegra, Margarita, Galván, Marcelo

Journal:

Journal of Physical Chemistry B

Année:

2003

Langue:

english

Fichier:

PDF, 221 KB

english, 2003

37

Density Functional Theory Study of the Cooperativity of Hydrogen Bonds in Finite and Infinite α-Helices

Ireta, Joel, Neugebauer, Jörg, Scheffler, Matthias, Rojo, Arturo, Galván, Marcelo

Journal:

Journal of Physical Chemistry B

Année:

2003

Fichier:

PDF, 8 KB

2003

38

On the Existence of Electronic States Confined by Charged Groups in Proteins

Aparicio, Felipe, Ireta, Joel, Rojo, Arturo, Escobar, Laura, Cedillo, Andrés, Galván, Marcelo

Journal:

Journal of Physical Chemistry B

Année:

2003

Langue:

english

Fichier:

PDF, 460 KB

english, 2003

39

Effect of Double Bonds on the Conducting Properties of Ciguatoxin 3C and Tetrahydropyrane-Based Polymers: A Theoretical Study

Matus, Myrna H., Garza, Jorge, Galván, Marcelo

Journal:

Journal of Physical Chemistry B

Année:

2006

Langue:

english

Fichier:

PDF, 299 KB

english, 2006

40

Local Reactivity of Charybdotoxin, a K + Channel Blocker

Ireta, Joel, Galván, Marcelo, Cho, Kyeonjgae, Joannopoulos, John D.

Journal:

Journal of the American Chemical Society

Année:

1998

Langue:

english

Fichier:

PDF, 317 KB

english, 1998

41

Density Functional Theory Study of the Cooperativity of Hydrogen Bonds in Finite and Infinite α-Helices

Ireta, Joel, Neugebauer, Jörg, Scheffler, Matthias, Rojo, Arturo, Galván, Marcelo

Journal:

Journal of Physical Chemistry B

Année:

2003

Langue:

english

Fichier:

PDF, 106 KB

english, 2003

42

Singlet−Triplet Gaps and Spin Potentials

Vargas, Rubicelia, Galván, Marcelo, Vela, Alberto

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 90 KB

english, 1998

43

Global and Local Reactivity and Activation Patterns of HOOX (X = H, NO 2 , CO 2- , SO 3- ) Peroxides with Solvent Effects

Aparicio, Felipe, Contreras, Renato, Galván, Marcelo, Cedillo, Andrés

Journal:

Journal of Physical Chemistry A

Année:

2003

Langue:

english

Fichier:

PDF, 89 KB

english, 2003

44

Theoretical Investigations of Oxygen-17 NMR Chemical Shifts to Discriminate among Helical Forms

De Gortari, Itzam, Galván, Marcelo, Ireta, Joel, Segall, Matthew, Pickard, Chris J., Payne, Mike

Journal:

Journal of Physical Chemistry A

Année:

2007

Langue:

english

Fichier:

PDF, 132 KB

english, 2007

45

Behavior of the Chemical Potential of Neutral Atoms in the Limit of Large Nuclear Charge

Gázquez, José Luis, Vela, Alberto, Galván, Marcelo

Journal:

Physical Review Letters

Année:

1986

Langue:

english

Fichier:

PDF, 700 KB

english, 1986

46

Potential Energy Landscape of Monolayer-Surface Systems Governed by Repulsive Lateral Interactions: The Case of

Tkatchenko, Alexandre, Batina, Nikola, Galván, Marcelo

Journal:

Physical Review Letters

Année:

2006

Langue:

english

Fichier:

PDF, 222 KB

english, 2006

47

Hardness and Softness in the Ab Initio Study of Polyatomic Systems

Galván, Marcelo, Pino, Arnaldo Dal, Joannopoulos, John D.

Journal:

Physical Review Letters

Année:

1993

Langue:

english

Fichier:

PDF, 85 KB

english, 1993

48

Analysis of saliva samples from oncological patients treated with 5-fluorouracil and leucovorin calcium by scanning electron microscopy with energy dispersive system

Mazzeo, Marcelo Adrián, Linares, Jorge Alberto, López, María Marcela, Bachmeier, Evelin, Wietz, Fernando Martín, Galván, Víctor, Valentinuzzi, María Cecilia, Riveros, José Alberto, Finkelberg, Ana

Journal:

Journal of Oral Pathology & Medicine

Année:

2013

Langue:

english

Fichier:

PDF, 212 KB

english, 2013

49

SR μXRF and XRD study of the spatial distribution and mineralogical composition of Pb and Sb species in weathering crust of corroded bullets of hunting fields

Mera, María F., Rubio, Marcelo, Pérez, Carlos A., Galván, Víctor, Germanier, Alejandro

Journal:

Microchemical Journal

Année:

2015

Langue:

english

Fichier:

PDF, 2.46 MB

english, 2015

50

STM Image Simulation: Effect of the Number of Tunneling States and the Isosurface Value

Radilla, Juan, Galván, Marcelo, Trinidad-Reyes, Yolanda, Batina, Nikola

Journal:

MRS Proceedings

Année:

2004

Langue:

english

Fichier:

PDF, 209 KB

english, 2004