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1

Nine questions on energy decomposition analysis

Andrés, Juan, Ayers, Paul W., Boto, Roberto A., Carbó-Dorca, Ramon, Chermette, Henry, Cioslowski, Jerzy, Contreras-García, Julia, Cooper, David L., Frenking, Gernot, Gatti, Carlo, Heidar-Zadeh, Farnaz

Journal:

Journal of Computational Chemistry

Year:

2019

Language:

english

File:

PDF, 2.97 MB

english, 2019

2

Exposición a oxitocina sintética en el periodo perinatal y resultados en la lactancia materna: un estudio piloto

Contreras-García, Y., Martínez-Montecinos, M., Araneda-Cartes, H., Manríquez-Vidal, C.

Journal:

Perinatología y Reproducción Humana

Year:

2016

File:

PDF, 963 KB

2016

3

Potassium under Pressure: A Pseudobinary Ionic Compound

Marqués, M., Ackland, G. J., Lundegaard, L. F., Stinton, G., Nelmes, R. J., McMahon, M. I., Contreras-García, J.

Journal:

Physical Review Letters

Year:

2009

Language:

english

File:

PDF, 365 KB

english, 2009

4

The Pauli principle and the confinement of electron pairs in a double well: Aspects of electronic bonding under pressure

Novoa, Trinidad, Contreras-García, Julia, Fuentealba, Patricio, Cárdenas, Carlos

Journal:

The Journal of Chemical Physics

Year:

2019

File:

PDF, 1.85 MB

2019

5

Mucopolisacaridosis: características clínicas, diagnóstico y de manejo

Suarez-Guerrero, Jorge Luis, Gómez Higuera, Pedro José Iván, Arias Flórez, Juan Sebastian, Contreras-García, Gustavo Adolfo

Journal:

Revista chilena de pediatría

Year:

2015

File:

PDF, 774 KB

2015

6

Revealing non-covalent interactions in solids: NCI plots revisited

Otero-de-la-Roza, Alberto, Johnson, Erin R., Contreras-García, Julia

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.72 MB

english, 2012

7

Fathers for the first time: Validation of a questionnaire to asses father experiences of first childbirth in Latin America

Molina-Velásquez, Leslie, Belizán, José M, Pérez-Villalobos, Cristhian, Contreras-García, Yolanda

Journal:

Year:

2018

Language:

english

File:

PDF, 412 KB

english, 2018

8

On understanding the chemical origin of band gaps

Contreras-García, J., Cardenas, Carlos

Journal:

Journal of Molecular Modeling

Year:

2017

Language:

english

File:

PDF, 1.23 MB

english, 2017

9

Determination of the band gap of TiO2–Al2O3 films as a function of processing parameters

E. Barajas-Ledesma, M.L. García-Benjume, I. Espitia-Cabrera, M. Ortiz-Gutiérrez, F.J. Espinoza-Beltrán, J. Mostaghimi, M.E. Contreras-García

Journal:

Materials Science and Engineering: B

Year:

2010

Language:

english

File:

PDF, 174 KB

english, 2010

10

A benchmark for the non-covalent interaction (NCI) index or… is it really all in the geometry?

Contreras-García, Julia, Boto, Roberto A., Izquierdo-Ruiz, Fernando, Reva, Igor, Woller, Tatiana, Alonso, Mercedes

Journal:

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

Year:

2016

Language:

english

File:

PDF, 2.03 MB

english, 2016

11

Revealing Non-covalent Interactions in Molecular Crystals through Their Experimental Electron Densities

Saleh , Gabriele, Gatti , Carlo, Lo Presti, Leonardo, Contreras-García, Julia

Journal:

Chemistry - A European Journal

Year:

2012

Language:

english

File:

PDF, 1.38 MB

english, 2012

12

Propiedades psicométricas de una escala de Percepción Materna del Vínculo Prenatal Paterno

Guzmán-Salas, Gonzalo, Contreras-García, Yolanda, Pérez-Villalobos, Cristhian, Manríquez -Vidal, Camilo

Journal:

Revista chilena de obstetricia y ginecología

Year:

2017

File:

PDF, 222 KB

2017

13

Independent Gradient Model: a new approach for probing strong and weak interactions in molecules from wave function calculations

Lefebvre, Corentin, Khartabil, Hassan, Boisson, Jean-Charles, Contreras-Garcia, Julia, Piquemal, Jean-Philip, Hénon, Eric

Journal:

Year:

2017

Language:

english

File:

PDF, 14.62 MB

english, 2017

14

The Missing Entry in the Agostic–Anagostic Series: Rh(I)–η 1 -C Interactions in P(CH)P Pincer Complexes

Lepetit, Christine, Poater, Jordi, Alikhani, M. Esmail, Silvi, Bernard, Canac, Yves, Contreras-García, Julia, Solà, Miquel, Chauvin, Remi

Journal:

Inorganic Chemistry

Year:

2015

Language:

english

File:

PDF, 2.75 MB

english, 2015

15

Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density

Lefebvre, Corentin, Rubez, Gaëtan, Khartabil, Hassan, Boisson, Jean-Charles, Contreras-García, Julia, Hénon, Eric

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 3.17 MB

english, 2017

16

Analysis of Hydrogen-Bond Interaction Potentials from the Electron Density: Integration of Noncovalent Interaction Regions

Contreras-García, Julia, Yang, Weitao, Johnson, Erin R.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.44 MB

english, 2011

17

Wound debridement and antibiofilm properties of gamma-ray DMAEMA-grafted onto cotton gauzes

Marco A. Luna-Straffon,Angel Contreras-García,Gilles Brackman,Tom Coenye…

Journal:

Year:

2014

Language:

english

File:

PDF, 902 KB

english, 2014

18

Biofilm inhibition and drug-eluting properties of novel DMAEMA-modified polyethylene and silicone rubber surfaces

Contreras-García, Angel, Bucio, Emilio, Brackman, Gilles, Coenye, Tom, Concheiro, Angel, Alvarez-Lorenzo, Carmen

Journal:

Year:

2011

Language:

english

File:

PDF, 1.03 MB

english, 2011

19

Binding of Thioflavin T and Related Probes to Polymorphic Models of Amyloid-β Fibrils

Peccati, Francesca, Pantaleone, Stefano, Riffet, Vanessa, Solans-Monfort, Xavier, Contreras-García, Julia, Guallar, Victor, Sodupe, Mariona

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 1.48 MB

english, 2017

20

Universal compressibility behaviour of ions in ionic crystals

Taravillo, M., del Corro, E., Contreras-García, J., Pendás, A. Martín, Flórez, M., Recio, J. M., Baonza, V. G.

Journal:

High Pressure Research

Year:

2009

Language:

english

File:

PDF, 207 KB

english, 2009

21

Surfactant-assisted hydrothermal crystallization of nanostructured lithium metasilicate (Li2SiO3) hollow spheres: (I) Synthesis, structural and microstructural characterization

J. Ortiz-Landeros, M.E. Contreras-García, C. Gómez-Yáñez, H. Pfeiffer

Journal:

Journal of Solid State Chemistry

Year:

2011

Language:

english

File:

PDF, 1.68 MB

english, 2011

22

Following the Molecular Mechanism for the NH 3 + LiH → LiNH 2 + H 2 Chemical Reaction: A Study Based on the Joint Use of the Quantum Theory of Atoms in Molecules (QTAIM) and Noncovalent Interaction (NCI) Index

Andrés, Juan, Berski, Slawomir, Contreras-García, Julia, González-Navarrete, Patricio

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.74 MB

english, 2014

23

Understanding the Fundamental Role of π / π, σ / σ, and σ / π Dispersion Interactions in Shaping Carbon-Based Materials

Alonso, Mercedes, Woller, Tatiana, Martín-Martínez, Francisco J., Contreras-García, Julia, Geerlings, Paul, De Proft, Frank

Journal:

Chemistry - A European Journal

Year:

2014

Language:

english

File:

PDF, 2.36 MB

english, 2014

24

Labelling Herceptin with a novel oxaliplatin derivative: a computational approach towards the selective drug delivery

Cerón-Carrasco, José P., Cerezo, Javier, Requena, Alberto, Zuñiga, José, Contreras-García, Julia, Chavan, Sonali, Manrubia-Cobo, Miguel, Pérez-Sánchez, Horacio

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 921 KB

english, 2014

25

The bulk modulus of cubic spinel selenides: an experimental and theoretical study

Waskowska, A., Gerward, L., Olsen, J. Staun, Marqués, M., Contreras-García, J., Recio, J. M.

Journal:

High Pressure Research

Year:

2009

Language:

english

File:

PDF, 129 KB

english, 2009

26

Synthesis and Characterization of Ti-Co Substituted Ba-Ferrites Processed by Sol-Gel

Mendoza-Suárez, G., Corral-Huacuz, J.C., Contreras-García, M.E., Vázquez-Obregón, D.

Journal:

Materials Science Forum

Year:

2001

File:

PDF, 485 KB

2001

27

Influence of the type of work shift in Female Sexual Function Index of healthcare sector female workers

Valenzuela-Peters, Romina, Contreras-García, Yolanda, Manriquez-Vidal, Camilo

Journal:

European Journal of Obstetrics & Gynecology and Reproductive Biology

Year:

2017

Language:

english

File:

PDF, 499 KB

english, 2017

28

Labeling IL-18 with alkaloids: toward the use of cytokines as carrier molecules in chemotherapy

Banegas-Luna, Antonio J., Peña-García, Jorge, Contreras-García, Julia, Pérez-Sánchez, Horacio, Cerón-Carrasco, José P.

Journal:

Theoretica Chimica Acta

Year:

2019

Language:

english

File:

PDF, 1.64 MB

english, 2019

29

Nanostructure characterization in single and multi layer yttria stabilized zirconia films using XPS, SEM, EDS and AFM

I. Espitia-Cabrera, H.D. Orozco-Hernández, P. Bartolo-Pérez, M.E. Contreras-García

Journal:

Surface and Coatings Technology

Year:

2008

Language:

english

File:

PDF, 1018 KB

english, 2008

30

Synthesis and chemical diversity analysis of bicyclo[3.3.1]non-3-en-2-ones

Jared T. Hammill, Julia Contreras-García, Aaron M. Virshup, David N. Beratan, Weitao Yang, Peter Wipf

Journal:

Year:

2010

Language:

english

File:

PDF, 799 KB

english, 2010

31

Low-Pressure Plasma Polymerization of Acetylene–Ammonia Mixtures for Biomedical Applications

Contreras-García, Angel, Wertheimer, Michael R.

Journal:

Plasma Chemistry and Plasma Processing

Year:

2013

Language:

english

File:

PDF, 413 KB

english, 2013

32

Origin of incommensurate modulations in the high-pressure phosphorus IV phase

Marqués, M., Ackland, G. J., Lundegaard, L. F., Falconi, S., Hejny, C., McMahon, M. I., Contreras-García, J., Hanfland, M.

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 1.08 MB

english, 2008

33

PP films grafted with N-isopropylacrylamide and N-(3-aminopropyl) methacrylamide by γ radiation: synthesis and characterization

Angel Contreras-García, Carmen Alvarez-Lorenzo, Angel Concheiro, Emilio Bucio

Journal:

Radiation Physics and Chemistry

Year:

2010

Language:

english

File:

PDF, 671 KB

english, 2010

34

Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy

Chaudret, R., de Courcy, B., Contreras-García, J., Gloaguen, E., Zehnacker-Rentien, A., Mons, M., Piquemal, J.-P.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.25 MB

english, 2014

35

Effects of the CO2 Guest Molecule on the sI Clathrate Hydrate Structure

Izquierdo-Ruiz, Fernando, Otero-de-la-Roza, Alberto, Contreras-García, Julia, Prieto-Ballesteros, Olga, Recio, Jose

Journal:

Year:

2016

Language:

english

File:

PDF, 4.98 MB

english, 2016

36

Stochastic Voyages into Uncharted Chemical Space Produce a Representative Library of All Possible Drug-Like Compounds

Virshup, Aaron M., Contreras-García, Julia, Wipf, Peter, Yang, Weitao, Beratan, David N.

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 3.01 MB

english, 2013

37

Thromboelastography (TEG) Cups and Pins with Different PECVD Coatings: Effect on the Coagulation Cascade in Platelet-poor Blood Plasma

Contreras-García, Angel, Merhi, Yahye, Ruiz, Juan-Carlos, Wertheimer, Michael R., Hoemann, Caroline D.

Journal:

Plasma Processes and Polymers

Year:

2013

Language:

english

File:

PDF, 643 KB

english, 2013

38

Optical control of antimicrobial activity in quinolone derivatives

Contreras-García, Elena, Martínez-López, David, Alonso, Carla Andrea, Lozano, Carmen, Torres, Carmen, Rodríguez, Miguel A., Campos, Pedro J., Sampedro, Diego

Journal:

European Journal of Organic Chemistry

Year:

2017

Language:

english

File:

PDF, 1.69 MB

english, 2017

39

Photocatalytic activity of Al2O3-doped TiO2 thin films activated with visible light on the bacteria Escherichia coli

E. Barajas-Ledesma, M.L. García-Benjume, I. Espitia-Cabrera, A. Bravo-Patiño, F.J. Espinoza-Beltrán, J. Mostaghimi, M.E. Contreras-García

Journal:

Materials Science and Engineering: B

Year:

2010

Language:

english

File:

PDF, 681 KB

english, 2010

40

The Houk–List transition states for organocatalytic mechanisms revisited

Armstrong, Alan, Boto, Roberto A., Dingwall, Paul, Contreras-García, Julia, Harvey, Matt J., Mason, Nicholas J., Rzepa, Henry S.

Journal:

Chemical Science

Year:

2014

Language:

english

File:

PDF, 991 KB

english, 2014

41

Unravelling Protein-DNA Interactions at Molecular Level: A DFT and NCI Study

Gonzalez, Jorge, Baños, Irene, León, Iker, Contreras-Garcia, Julia, Cocinero, Emilio J., Lesarri, Alberto, Fernandez, Jose A., Millán, Judith

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 1.85 MB

english, 2016

42

A new polymorph with a layered structure ɛ-CaTe2O5

N. Barrier, J.M. Rueff, M.B. Lepetit, J. Contreras-Garcia, S. Malo, B. Raveau

Journal:

Solid State Sciences

Year:

2009

Language:

english

File:

PDF, 462 KB

english, 2009

43

Wiedemann–Rautenstrauch syndrome prenatal diagnosis

Becerra, C H, Contreras-García, G A, Perez Vera, L A, Díaz-Martínez, L A, Beltran Avendaño, M A, Salazar Martínez, H A

Journal:

Journal of Perinatology

Year:

2014

Language:

english

File:

PDF, 257 KB

english, 2014

44

ChemInform Abstract: Synthesis and Chemical Diversity Analysis of Bicyclo[3.3.1]non-3-en-2-ones.

Jared T. Hammill, Julia Contreras-Garcia, Aaron M. Virshup, David N. Beratan, Weitao Yang, Peter Wipf

Journal:

Year:

2010

File:

PDF, 38 KB

2010

45

Are Bond Critical Points Really Critical for Hydrogen Bonding?

Lane, Joseph R., Contreras-García, Julia, Piquemal, Jean-Philip, Miller, Benjamin J., Kjaergaard, Henrik G.

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.10 MB

english, 2013

46

Comparative Study of Corrosion in Physiological Serum of Ceramic Coatings Applied on 316L Stainless Steel Substrate

Espitia-Cabrera, M.I., Orozco-Hernández, H.D., Espinosa-Medina, M.A., Martínez, L., Contreras-García, M.E.

Journal:

Advanced Materials Research

Year:

2009

Language:

english

File:

PDF, 1.72 MB

english, 2009

47

Enfermedad peroxisomal, condrodisplasia rizomelica punctata tipo 1: reporte de caso

González-Ortiz, Cesar Leonardo, Jaimes Leguizamón, Sandra Bibiana, Contreras-García, Gustavo Adolfo

Journal:

Revista chilena de pediatría

Year:

2017

Language:

english

File:

PDF, 1.40 MB

english, 2017

48

Making Base-Assisted CâH Bond Activation by Cp*Co(III) Effective: A Noncovalent Interaction-Inclusive Theoretical Insight and Experimental Validation

Wu, Fule, Deraedt, Christophe, Cornaton, Yann, Contreras-Garcia, Julia, Boucher, MÃ©lanie, Karmazin, Lydia, Bailly, Corinne, Djukic, Jean-Pierre

Journal:

Organometallics

Year:

2020

File:

PDF, 6.21 MB

2020

49

On the mechanism of the zircon-reidite pressure induced transformation

M. Marqués, J. Contreras-García, M. Flórez, J.M. Recio

Journal:

Journal of Physics and Chemistry of Solids

Year:

2008

Language:

english

File:

PDF, 189 KB

english, 2008

50

Ionic interactions: Comparative topological approach

Julia Contreras-García, Mónica Calatayud, Jean-Philip Piquemal, J.M. Recio

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 932 KB

english, 2012

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