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51

Highly selective mercury(ii) cations detection in mixed–aqueous media by a ferrocene-based fluorescent receptor

Alfonso, María, Contreras-García, Julia, Espinosa, Arturo, Tárraga, Alberto, Molina, Pedro

Journal:

Dalton Transactions

Year:

2012

Language:

english

File:

PDF, 1.18 MB

english, 2012

52

Bonding changes across the α-cristobalite→stishovite transition path in silica

Gracia, L., Contreras-García, J., Beltrán, A., Recio, J. M.

Journal:

High Pressure Research

Year:

2009

Language:

english

File:

PDF, 157 KB

english, 2009

53

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

54

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

55

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

56

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

57

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

58

Synergic effect of the TiO2-CeO2 nanoconjugate system on the band-gap for visible light photocatalysis

Contreras-García, M.E., García-Benjume, M. Lorena, Macías-Andrés, Víctor I., Barajas-Ledesma, E., Medina-Flores, A., Espitia-Cabrera, M.I.

Journal:

Materials Science and Engineering: B

Year:

2014

Language:

english

File:

PDF, 3.72 MB

english, 2014

59

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, 982 KB

english, 2014

60

Six questions on topology in theoretical chemistry

Ayers, Paul L., Boyd, Russell J., Bultinck, Patrick, Caffarel, Michel, Carbó-Dorca, Ramon, Causá, Mauro, Cioslowski, Jerzy, Contreras-Garcia, Julia, Cooper, David L., Coppens, Philip, Gatti, Carlo, Gr

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 603 KB

english, 2015

61

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

62

Revisiting H 2 O Nucleation around Au + and Hg 2+ : The Peculiar “Pseudo-Soft” Character of the Gold Cation

Chaudret, Robin, Contreras-Garcia, Julia, Delcey, Mickaël, Parisel, Olivier, Yang, Weitao, Piquemal, Jean-Philip

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 3.11 MB

english, 2014

63

Characterizing Molecular Interactions in Chemical Systems

Gunther, David, Boto, Roberto A., Contreras-Garcia, Juila, Piquemal, Jean-Philip, Tierny, Julien

Journal:

IEEE Transactions on Visualization and Computer Graphics

Year:

2014

Language:

english

File:

PDF, 19.51 MB

english, 2014

64

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

65

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

66

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

67

[Phys. Rev. B 79 , 104101 (2009)]

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

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 33 KB

english, 2009

68

Surface functionalization of polypropylene devices with hemocompatible DMAAm and NIPAAm grafts for norfloxacin sustained release

Contreras-Garcia, A., Bucio, E., Concheiro, A., Alvarez-Lorenzo, C.

Journal:

Journal of Bioactive and Compatible Polymers

Year:

2011

Language:

english

File:

PDF, 403 KB

english, 2011

69

Plasma Process. Polym. 9∕2013

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

Journal:

Plasma Processes and Polymers

Year:

2013

File:

PDF, 77 KB

2013

70

Cover Picture: Understanding the Fundamental Role of π / π, σ / σ, and σ / π Dispersion Interactions in Shaping Carbon-Based Materials (Chem. Eur. J. 17/2014)

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

Journal:

Chemistry - A European Journal

Year:

2014

File:

PDF, 393 KB

2014

71

Potassium-based sorbents using mesostructured γ-alumina supports for low temperature CO2 capture

Durán-Guevara, M.B., Ortiz-Landeros, J., Pfeiffer, H., Espitia-Cabrera, M.I., Contreras-García, M.E.

Journal:

Ceramics International

Year:

2015

Language:

english

File:

PDF, 1.97 MB

english, 2015

72

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

73

Optical and electronic properties of dense sodium

Marqués, Miriam, Santoro, Mario, Guillaume, Christophe L., Gorelli, Federico A., Contreras-García, Julia, Howie, Ross T., Goncharov, Alexander F., Gregoryanz, Eugene

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 872 KB

english, 2011

74

From molecular to polymeric CO 2 : bonding transformations under pressure

Contreras-García, J., Recio, J. M.

Journal:

High Pressure Research

Year:

2009

Language:

english

File:

PDF, 171 KB

english, 2009

75

Preface to the Special Issue on “Understanding structure and reactivity from topology and beyond”

Pendás, Ángel Martín, Contreras-García, Julia

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 188 KB

english, 2015

76

The role of dispersion forces in metal-supported self-assembled monolayers

Boto, Roberto A., Contreras-García, J., Calatayud, M.

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 880 KB

english, 2015

77

ZETA POTENTIAL STUDY OF BARIUM HEXAGONAL FERRITES (BaFe12O19) FOR DRUG RELEASE

Torres-Cadenas, S., Escudero-García, R., Espítia-Cabrera, I., Contreras-García, M.E.

Journal:

MRS Proceedings

Year:

2012

Language:

english

File:

PDF, 435 KB

english, 2012

78

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:

Journal of Metastable and Nanocrystalline Materials

Year:

2001

File:

PDF, 484 KB

2001

79

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

80

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

81

Guest–host interactions in gas clathrate hydrates under pressure

Izquierdo-Ruiz, F., Otero-de-la-Roza, A., Contreras-García, J., Menéndez, J.M., Prieto-Ballesteros, O., Recio, J.M.

Journal:

High Pressure Research

Year:

2015

Language:

english

File:

PDF, 216 KB

english, 2015

82

Incorporation

García-Benjume, M. L., Espitia-Cabrera, M. I., Contreras-García, M. E.

Journal:

International Journal of Photoenergy

Year:

2012

Language:

english

File:

PDF, 2.74 MB

english, 2012

83

From ELF to Compressibility in Solids

Contreras-García, Julia, Marqués, Miriam, Menéndez, José, Recio, José

Journal:

International Journal of Molecular Sciences

Year:

2015

Language:

english

File:

PDF, 305 KB

english, 2015

84

A Versatile Star PEG Grafting Method for the Generation of Nonfouling and Nonthrombogenic Surfaces

Thalla, Pradeep Kumar, Contreras-García, Angel, Fadlallah, Hicham, Barrette, Jérémie, De Crescenzo, Gregory, Merhi, Yahye, Lerouge, Sophie

Journal:

BioMed Research International

Year:

2013

Language:

english

File:

PDF, 1.64 MB

english, 2013

85

Enhanced Corrosion Resistance in Artificial Saliva of Ti6Al4V with ZrO 2 Nanostructured Coating

Machado-López, M. M., Faure, J., Espinosa-Medina, M. A., Espitia-Cabrera, M. I., Contreras-García, M. E.

Journal:

Journal of The Electrochemical Society

Year:

2015

Language:

english

File:

PDF, 1.89 MB

english, 2015

86

How strong are the metallocene–metallocene interactions? Cases of ferrocene, ruthenocene, and osmocene

Vargas-Caamal, Alba, Pan, Sudip, Ortiz-Chi, Filiberto, Cabellos, Jose Luis, Boto, Roberto A., Contreras-Garcia, Julia, Restrepo, Albeiro, Chattaraj, Pratim K., Merino, Gabriel

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.27 MB

english, 2016

87

Interpretation of the reduced density gradient

Boto, Roberto A., Contreras-García, Julia, Tierny, Julien, Piquemal, Jean-Philip

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 1015 KB

english, 2015

88

Biocide Activity of TiO2 Nanostructured Films

Barajas-Ledesma, Edgar, García-Benjume, M.L., Espitia-Cabrera, I., Bravo-Patiño, A., Contreras-García, M.E.

Journal:

Journal of Nano Research

Year:

2010

Language:

english

File:

PDF, 587 KB

english, 2010

89

Exploiting the cyclodextrins ability for antioxidants encapsulation: A computational approach to carnosol and carnosic acid embedding

Cerón-Carrasco, José P., den-Haan, Helena, Peña-García, Jorge, Contreras-García, Julia, Pérez-Sánchez, Horacio

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 2.97 MB

english, 2015

90

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

91

Understanding conductivity in molecular switches: a real space approach in octaphyrins

Woller, Tatiana, Ramos-Berdullas, Nicolas, Mandado, Marcos, Alonso, Mercedes, De Proft, Frank, Contreras-García, Julia

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.30 MB

english, 2016

92

Understanding Molecular Switching Properties of Octaphyrins

Woller, Tatiana, Contreras-Garcia, Julia, Geerlings, Paul, De Proft, Frank, Alonso, Mercedes

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 6.28 MB

english, 2016

93

Diagnóstico, evaluación y seguimiento de la hematuria microscópica. Un enfoque al alcance de todos

Contreras-García, Ricardo, García-Perdomo, Herney Andrés

Journal:

Urología Colombiana

Year:

2016

File:

PDF, 644 KB

2016

94

Fusion peptide P15-CSP shows antibiofilm activity and pro-osteogenic activity when deposited as a coating on hydrophilic but not hydrophobic surfaces

Li, Xian, Contreras-Garcia, Angel, LoVetri, Karen, Yakandawala, Nandadeva, Wertheimer, Michael R., De Crescenzo, Gregory, Hoemann, Caroline D.

Journal:

Journal of Biomedical Materials Research Part A

Year:

2015

Language:

english

File:

PDF, 818 KB

english, 2015

95

Ordered helium trapping and bonding in compressed arsenolite: Synthesis of

Sans, Juan A., Manjón, Francisco J., Popescu, Catalin, Cuenca-Gotor, Vanesa P., Gomis, Oscar, Muñoz, Alfonso, Rodríguez-Hernández, Plácida, Contreras-García, Julia, Pellicer-Porres, Julio, Pereira, An

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 978 KB

english, 2016

96

under compression: Optical and elastic properties and electron density topology analysis

Pereira, A. L. J., Gomis, O., Sans, J. A., Contreras-García, J., Manjón, F. J., Rodríguez-Hernández, P., Muñoz, A., Beltrán, A.

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 2.08 MB

english, 2016

97

Synthesis and thermoluminescence of LaAlO3:Pr3+ to UVC radiation dosimetry

Morales-Hernández, A., Zarate-Medina, J., Contreras-García, M.E., Azorín-Nieto, J., Rivera-Montalvo, T.

Journal:

Applied Radiation and Isotopes

Year:

2016

Language:

english

File:

PDF, 1.39 MB

english, 2016

98

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

99

Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design

Calbo, Joaquín, Weston, Claire E., White, Andrew J. P., Rzepa, Henry S., Contreras-García, Julia, Fuchter, Matthew J.

Journal:

Journal of the American Chemical Society

Year:

2017

Language:

english

File:

PDF, 1.42 MB

english, 2017

100

Amiloidosis vesical: una causa poco frecuente de hematuria macroscópica

Contreras-García, Ricardo, Echeverría-García, Fernando, García-Perdomo, Herney Andrés, Montes-Cardona, Carlos, Carbonell-González, Jorge

Journal:

Urología Colombiana

Year:

2017

File:

PDF, 818 KB

2017