Peruchena, Nélida M.: search on Z-Library

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1

Effects of silica gel on reduction in gluten during several beer brewing stages

Benítez, Elisa I., Acquisgrana, María R., Peruchena, Nélida M., Sosa, Gladis L., Lozano, Jorge E.

Journal:

International Journal of Food Science & Technology

Year:

2016

Language:

english

File:

PDF, 311 KB

english, 2016

2

3-Chlorotyramine Acting as Ligand of the D 2 Dopamine Receptor. Molecular Modeling, Synthesis and D 2 Receptor Affinity

Angelina, Emilio, Andujar, Sebastian, Moreno, Laura, Garibotto, Francisco, Párraga, Javier, Peruchena, Nelida, Cabedo, Nuria, Villecco, Margarita, Cortes, Diego, Enriz, Ricardo D.

Journal:

Molecular Informatics

Year:

2015

Language:

english

File:

PDF, 3.00 MB

english, 2015

3

Polysaccharides influence on the interaction between tannic acid and haze active proteins in beer

Mercedes Lataza Rovaletti, M., Benítez, Elisa I., Martinez Amezaga, Nancy M.J., Peruchena, Nélida M., Sosa, Gladis L., Lozano, Jorge E.

Journal:

Food Research International

Year:

2014

Language:

english

File:

PDF, 1.33 MB

english, 2014

4

Evolution of the hydrogen-bonding motif in the melamine–cyanuric acid co-crystal: a topological study

Petelski, Andre N., Peruchena, Nelida M., Sosa, Gladis L.

Journal:

Journal of Molecular Modeling

Year:

2016

Language:

english

File:

PDF, 2.06 MB

english, 2016

5

A QM/MM study of the molecular recognition site of bapineuzumab toward the amyloid-β peptide isoforms

Gutierrez, Lucas J., Barrera Guisasola, Exequiel E., Peruchena, Nelida, Enriz, Ricardo D.

Journal:

Molecular Simulation

Year:

2015

Language:

english

File:

PDF, 826 KB

english, 2015

6

Is σ-hole an electronic exchange channel in YX∙∙∙CO interactions?

J. R. Duarte, Darío, Buralli, Gabriel J., Peruchena, Nélida M.

Journal:

Chemical Physics Letters

Year:

2018

Language:

english

File:

PDF, 907 KB

english, 2018

7

Impact of Confinement in Multimolecular Inclusion Compounds of Melamine and Cyanuric Acid

Petelski, Andre Nicolai Nicolai, Pamies, Silvana Carina, Sejas, Agustín Gabriel, Peruchena, Nélida María, Sosa, Gladis Laura

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 959 KB

english, 2019

8

Molecular Insights on the Role of (CTA+)(SiO−) Ion Pair into the Catalytic Activity of [CTA+]–Si–MCM-41

Alegre, Clara Iris Aymará, Zalazar, María Fernanda, Bulhões Cazula, Bárbara, Alves, Helton José, Peruchena, Nélida María

Journal:

Topics in Catalysis

Year:

2019

Language:

english

File:

PDF, 3.98 MB

english, 2019

9

The role of polysaccharides on the stability of colloidal particles of beer

Martinez Amezaga, Nancy Maria J., Benítez, Elisa I., Sosa, Gladis L., Peruchena, Nélida M., Lozano, Jorge E.

Journal:

International Journal of Food Science & Technology

Year:

2016

Language:

english

File:

PDF, 205 KB

english, 2016

10

Topological and NBO analysis of hydrogen bonding interactions involving C–H⋯O bonds

Gladis L. Sosa, Nélida M. Peruchena, Rubén H. Contreras, Eduardo A. Castro

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 304 KB

english, 2002

11

Insights into the self-assembly steps of cyanuric acid toward rosette motifs: a DFT study

Petelski, Andre N., Peruchena, Nélida M., Pamies, Silvana C., Sosa, Gladis L.

Journal:

Journal of Molecular Modeling

Year:

2017

Language:

english

File:

PDF, 2.10 MB

english, 2017

12

Topological analysis of aromatic halogen/hydrogen bonds by electron charge density and electrostatic potentials

Darío J. R. Duarte, Margarita M. de las Vallejos, Nélida M. Peruchena

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 450 KB

english, 2010

13

Three-Center−Two-Electron and Four-Center−Four-Electron Bonds. A Study by Electron Charge Density over the Structure of Methonium Cations

Okulik, Nora B., Peruchena, Nélida M., Jubert, Alicia H.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 220 KB

english, 2006

14

Multicenter (FX)n/NH3 Halogen Bonds (X = Cl, Br and n = 1–5). QTAIM Descriptors of the Strength of the X∙∙∙N Interaction

Buralli, Gabriel, Petelski, Andre, Peruchena, Nélida, Sosa, Gladis, Duarte, Darío

Journal:

Year:

2017

Language:

english

File:

PDF, 1.58 MB

english, 2017

15

Microsolvation of morpholine, a bidentate base – the importance of cooperativity

Margarita M. Vallejos, Al Mokhtar Lamsabhi, Nélida M. Peruchena, Otilia Mó, Manuel Yáñez

Journal:

Journal of Physical Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 737 KB

english, 2012

16

Topological Analysis of the Electronic Charge Density in the Ethene Protonation Reaction Catalyzed by Acidic Zeolite

Zalazar, M. Fernanda, Peruchena, Nélida M.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 407 KB

english, 2007

17

Laplacian of the electron density: a hole-lump interaction as a tool to study stereoelectronic control of chemical reactions

Fernanda Zalazar, María, Peruchena, Nélida M.

Journal:

Journal of Physical Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 1.25 MB

english, 2014

18

Simultaneous occurrence of quadruple Lewis acid-base interactions between selenium atoms in selenocarbonyl dimers

Buralli, Gabriel Jesús, Duarte, Darío Jorge Roberto, Peruchena, Nélida María, Alkorta, Ibon

Journal:

Year:

2017

Language:

english

File:

PDF, 1.53 MB

english, 2017

19

Study of Confinement and Catalysis Effects of the Reaction of Methylation of Benzene by Methanol in H-Beta and H-ZSM-5 Zeolites by Topological Analysis of Electron Density

Zalazar, Maria Fernanda, Paredes, Esteban Nadal, Romero Ojeda, Gonzalo David, Cabral, Néstor Damián, Peruchena, Nelida Maria

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 2.16 MB

english, 2018

20

Preferential Formation of the Different Hydrogen Bonds and Their Effects in Tetrahydrofuran and Tetrahydropyran Microhydrated Complexes

Vallejos, Margarita M., Peruchena, Nélida M.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 732 KB

english, 2012

21

Double Hole–Lump Interaction between Halogen Atoms

Duarte, Darío J. R., Peruchena, Nélida M., Alkorta, Ibon

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 738 KB

english, 2015

22

Total polyphenol extraction from red sorghum grain and effects on the morphological structure of starch granules

Acquisgrana, María del Rosario, Benítez, Elisa I., Gómez Pamies, Laura C., Sosa, Gladis L., Peruchena, Nélida M., Lozano, Jorge E.

Journal:

International Journal of Food Science & Technology

Year:

2016

Language:

english

File:

PDF, 561 KB

english, 2016

23

Topological analysis of the electronic charge density in nucleoside analogues derivatives of the AZT. Effects of X–H⋯O and X–H⋯F intramolecular H-bonds

Noemi G. Fidanza, Gladis L. Sosa, Rosana M. Lobayan, Nélida M. Peruchena

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 407 KB

english, 2005

24

Halogen bonding. The role of polarizability of the electron-pair donor

Duarte, Darío Jorge Roberto, Sosa, Gladis Laura, Peruchena, Nélida María, Alkorta, Ibon

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.36 MB

english, 2016

25

Theoretical analysis of the electronic properties of the sex pheromone and its analogue derivatives in the female processionary moth Thaumetopoea pytiocampa

Ester R. Chamorro, Alfredo F. Sequeira, M. Fernanda Zalazar, Nélida M. Peruchena

Journal:

Bioorganic & Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 1.76 MB

english, 2008

26

Lewis acid-base behavior of hypervalent halogen fluorides in gas phase

Buralli, Gabriel J., Duarte, Darío J. R., Sosa, Gladis L., Peruchena, Nélida M.

Journal:

Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 467 KB

english, 2017

27

Flap-site Fragment Restores Back Wild-type Behaviour in Resistant form of HIV Protease

Luchi, Adriano, Angelina, Emilio, Bogado, Lucrecia, Forli, Stefano, Olson, Arthur, Peruchena, Nélida

Journal:

Molecular Informatics

Year:

2018

Language:

english

File:

PDF, 3.75 MB

english, 2018

28

Searching the “Biologically Relevant”Conformation of Dopamine: A Computational Approach

Andujar, Sebastian A., Tosso, Rodrigo D., Suvire, Fernando D., Angelina, Emilio, Peruchena, Nelida, Cabedo, Nuria, Cortes, Diego, Enriz, Ricardo D.

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 620 KB

english, 2012

29

Ab Initio Topological Analysis of the Electronic Density in n-Butonium Cations and Their van der Waals Complexes

Okulik, Nora B., Sosa, Laura G., Esteves, Pierre M., Mota, Claudio J. A., Jubert, Alicia H., Peruchena, Nélida M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 203 KB

english, 2002

30

Theoretical study of cis- and trans-3,6-dimethoxy-1,2,4,5-tetroxane molecule

Nelly Jorge, Nélida Peruchena, Lazaro F.R Cafferata, Eduardo A Castro

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 136 KB

english, 1998

31

Ab Initio Topological Analysis of the Electronic Density in Isobutonium Cations

Okulik, Nora, Peruchena, Nélida M., Esteves, Pierre M., Mota, Claudio J. A., Jubert, Alicia

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 128 KB

english, 1999

32

Confinement Effects in Protonation Reactions Catalyzed by Zeolites with Large Void Structures

Zalazar, María Fernanda, Cabral, Néstor Damián, Romero Ojeda, Gonzalo David, Alegre, Clara Iris Aymará, Peruchena, Nelida Maria

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 889 KB

english, 2018

33

Some Electronic Correlation Effects in the Topological Analysis of the Laplacian of the Electronic Charge Density in C- n -Butonium Cations

Lobayan, Rosana M., Sosa, Gladis L., Jubert, Alicia H., Peruchena, Nélida M.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 106 KB

english, 2005

34

Experimental and theoretical study of substituent effects on 3J(13C1-1H) coupling constants in 1-X-bicyclo[1.1.1]pentanes

Ernest W. Della, Ian J. Lochert, Nélida M. Peruchena, Gustavo A. Aucar, Rubén H. Contreras

Journal:

Journal of Physical Organic Chemistry

Year:

1996

Language:

english

File:

PDF, 942 KB

english, 1996

35

Topological description of the bond-breaking and bond-forming processes of the alkene protonation reaction in zeolite chemistry: an AIM study

María Fernanda Zalazar, Nélida Maria Peruchena

Journal:

Journal of Molecular Modeling

Year:

2011

Language:

english

File:

PDF, 516 KB

english, 2011

36

Physical meaning of the QTAIM topological parameters in hydrogen bonding

Duarte, Darío J. R., Angelina, Emilio L., Peruchena, Nélida M.

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 1.19 MB

english, 2014

37

Non-covalent interactions in receptor-ligand complexes. A study based on the electron charge density

Angelina, Emilio L., Andujar, Sebastián A., Tosso, Rodrigo D., Enriz, Ricardo D., Peruchena, Nélida M.

Journal:

Journal of Physical Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 1.40 MB

english, 2014

38

New small-size peptides modulators of the exosite of BACE1 obtained from a structure-based design

Gutierrez, Lucas J., Angelina, Emilio, Gyebrovszki, Andrea, Fülöp, Lívia, Peruchena, Nelida, Baldoni, Héctor A., Penke, Botond, Enriz, Ricardo D.

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2016

Language:

english

File:

PDF, 2.56 MB

english, 2016

39

Adsorption of acetic acid and methanol on H-Beta zeolite: An experimental and theoretical study

Gomes, Glaucio J., Zalazar, M. Fernanda, Lindino, Cleber A., Scremin, Fernando R., Bittencourt, Paulo R., Costa, Michelle Budke, Peruchena, Nélida M.

Journal:

Microporous and Mesoporous Materials

Year:

2017

Language:

english

File:

PDF, 6.01 MB

english, 2017

40

Halogen bonding in biological context: a computational study of D2 dopamine receptor

Luchi, Adriano M., Angelina, Emilio L., Andujar, Sebastián A., Enriz, Ricardo D., Peruchena, Nélida M.

Journal:

Journal of Physical Organic Chemistry

Year:

2016

Language:

english

File:

PDF, 4.07 MB

english, 2016

41

Binding of acidic PLA2 Ba SPII RP4 from Bothrops alternatus snake venom to integrin Î±vÎ²3: An in silico study

Angelina, Emilio, Bustillo, Soledad, Bogado, Lucrecia, Denegri, MarÃa Emilia GarcÃa, Peruchena, Nelida, Leiva, Laura Cristina

Journal:

Year:

2020

File:

PDF, 50 KB

2020

42

Conformational and electronic study of N-acetyl-L-isoleucine-N-methylamide using DFT and IPCM calculations

Ana M. Rodríguez, Joseph C. P. Koo, Dante E. Rojas, Nélida M. Peruchena, Ricardo D. Enriz

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 321 KB

english, 2006

43

Semiempirical study of the conformation of tetroxane and its halogenated derivatives

Nelly Jorge, Nélida Peruchena, Lázaro Cafferata, Eduardo A. Castro

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 825 KB

english, 1994

44

[4 + 3] and [4 + 2] mechanisms of the Diels–Alder reactions of vinylboranes: an analysis of the electron charge density distribution

Vallejos, Margarita M., Peruchena, Nélida M., Pellegrinet, Silvina C.

Journal:

Organic & Biomolecular Chemistry

Year:

2013

Language:

english

File:

PDF, 3.07 MB

english, 2013

45

Molecular‐level Understanding of the Rate‐determining Step in Esterification Reactions Catalyzed by H‐ZSM‐5 Zeolite. An Experimental and Theoretical Study

Gomes, Glaucio J., Zalazar, M. Fernanda, Arroyo, Pedro Augusto, Scremin, Fernando. R., Costa, Michelle Budke, Bittencourt, Paulo R. S., Lindino, Cleber A., Peruchena, Nélida M.

Journal:

ChemistrySelect

Year:

2019

File:

PDF, 1.30 MB

2019

46

On the strength of the halogen bonds: Mutual penetration, atomic quadrupole moment and Laplacian distribution of the charge density analyses

Darío J.R. Duarte, Emilio L. Angelina, Nélida M. Peruchena

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 566 KB

english, 2012

47

Ab Initio Topological Analysis of the Electronic Density in Proponium Cations

Okulik, Nora, Peruchena, Nélida, Esteves, Pierre M., Mota, Claudio, Jubert, Alicia H.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 154 KB

english, 2000

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