Julia Contreras-Garcia, Ph.D. - Publications

Affiliations: 
Chemistry Université Pierre et Marie Curie, Paris, Île-de-France, France 
Area:
Theoretical Chemistry
Website:
http://www.lct.jussieu.fr/pagesperso/contrera

25 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Klein J, Khartabil H, Boisson JC, Contreras-Garcia J, Piquemal JP, Henon E. A New Way for Probing Bond Strength. The Journal of Physical Chemistry. A. PMID 32039597 DOI: 10.1021/acs.jpca.9b09845  0.68
2017 Calbo J, Aragó J, Boto RA, Sanchez-Marin J, Ortí E, Contreras-Garcia J. Bending Carbon Nanoforms for Supramolecular Recognition: A Topological Study on Hemifullerene-Based Aggregates. The Journal of Physical Chemistry. A. PMID 29266944 DOI: 10.1021/acs.jpca.7b11746  0.52
2017 Lefebvre C, Khartabil H, Boisson JC, Contreras-Garcia J, Piquemal JP, Hénon E. Independent Gradient Model: a new approach for probing strong and weak interactions in molecules from wave function calculations. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 29250908 DOI: 10.1002/cphc.201701325  0.68
2015 Vargas-Caamal A, Pan S, Ortiz-Chi F, Cabellos JL, Boto RA, Contreras-Garcia J, Restrepo A, Chattaraj PK, Merino G. How strong are the metallocene-metallocene interactions? Cases of ferrocene, ruthenocene, and osmocene. Physical Chemistry Chemical Physics : Pccp. PMID 26618629 DOI: 10.1039/c5cp05956a  0.68
2015 Contreras-García J, Marqués M, Menéndez JM, Recio JM. From ELF to compressibility in solids. International Journal of Molecular Sciences. 16: 8151-67. PMID 25872139 DOI: 10.3390/ijms16048151  0.68
2015 Lepetit C, Poater J, Alikhani ME, Silvi B, Canac Y, Contreras-García J, Solà M, Chauvin R. The missing entry in the agostic-anagostic series: Rh(I)-η(1)-C interactions in P(CH)P pincer complexes. Inorganic Chemistry. 54: 2960-9. PMID 25714128 DOI: 10.1021/acs.inorgchem.5b00069  0.68
2015 Ayers PL, Boyd RJ, Bultinck P, Caffarel M, Carbó-Dorca R, Causá M, Cioslowski J, Contreras-Garcia J, Cooper DL, Coppens P, Gatti C, Grabowsky S, Lazzeretti P, Macchi P, Martín Pendás Á, et al. Six questions on topology in theoretical chemistry Computational and Theoretical Chemistry. 1053: 2-16. DOI: 10.1016/j.comptc.2014.09.028  0.68
2014 Gunther D, Boto RA, Contreras-Garcia J, Piquemal JP, Tierny J. Characterizing Molecular Interactions in Chemical Systems. Ieee Transactions On Visualization and Computer Graphics. 20: 2476-85. PMID 26356961 DOI: 10.1109/TVCG.2014.2346403  0.68
2014 Cerón-Carrasco JP, Cerezo J, Requena A, Zuñiga J, Contreras-García J, Chavan S, Manrubia-Cobo M, Pérez-Sánchez H. Labelling Herceptin with a novel oxaliplatin derivative: a computational approach towards the selective drug delivery. Journal of Molecular Modeling. 20: 2401. PMID 25149438 DOI: 10.1007/s00894-014-2401-7  0.68
2014 Chaudret R, Contreras-Garcia J, Delcey M, Parisel O, Yang W, Piquemal JP. Revisiting H2O Nucleation around Au(+) and Hg(2+): The Peculiar "Pseudo-Soft" Character of the Gold Cation. Journal of Chemical Theory and Computation. 10: 1900-1909. PMID 24860276 DOI: 10.1021/ct4006135  0.68
2014 Chaudret R, de Courcy B, Contreras-García J, Gloaguen E, Zehnacker-Rentien A, Mons M, Piquemal JP. Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy. Physical Chemistry Chemical Physics : Pccp. 16: 9876-91. PMID 24419903 DOI: 10.1039/c3cp52774c  0.68
2014 Günther D, Boto RA, Contreras-Garcia J, Piquemal JP, Tierny J. Characterizing molecular interactions in chemical systems Ieee Transactions On Visualization and Computer Graphics. 20: 2476-2485. DOI: 10.1109/TVCG.2014.2346403  0.68
2013 Lane JR, Contreras-García J, Piquemal JP, Miller BJ, Kjaergaard HG. Are Bond Critical Points Really Critical for Hydrogen Bonding? Journal of Chemical Theory and Computation. 9: 3263-6. PMID 26584086 DOI: 10.1021/ct400420r  0.68
2013 Virshup AM, Contreras-García J, Wipf P, Yang W, Beratan DN. Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds. Journal of the American Chemical Society. 135: 7296-303. PMID 23548177 DOI: 10.1021/ja401184g  0.68
2012 Johnson ER, Contreras-García J, Yang W. Density-Functional Errors in Alkanes: A Real-Space Perspective. Journal of Chemical Theory and Computation. 8: 2676-81. PMID 26592113 DOI: 10.1021/ct300412g  0.68
2012 Zheng X, Liu M, Johnson ER, Contreras-García J, Yang W. Delocalization error of density-functional approximations: a distinct manifestation in hydrogen molecular chains. The Journal of Chemical Physics. 137: 214106. PMID 23231216 DOI: 10.1063/1.4768673  0.68
2012 Saleh G, Gatti C, Lo Presti L, Contreras-García J. Revealing non-covalent interactions in molecular crystals through their experimental electron densities. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 15523-36. PMID 23038653 DOI: 10.1002/chem.201201290  0.68
2012 Otero-de-la-Roza A, Johnson ER, Contreras-García J. Revealing non-covalent interactions in solids: NCI plots revisited. Physical Chemistry Chemical Physics : Pccp. 14: 12165-72. PMID 22850808 DOI: 10.1039/c2cp41395g  0.52
2011 Johnson ER, Contreras-García J. Communication: a density functional with accurate fractional-charge and fractional-spin behaviour for s-electrons. The Journal of Chemical Physics. 135: 081103. PMID 21895149 DOI: 10.1063/1.3630117  0.52
2011 Contreras-García J, Yang W, Johnson ER. Analysis of hydrogen-bond interaction potentials from the electron density: integration of noncovalent interaction regions. The Journal of Physical Chemistry. A. 115: 12983-90. PMID 21786796 DOI: 10.1021/jp204278k  0.68
2011 Contreras-García J, Johnson ER, Keinan S, Chaudret R, Piquemal JP, Beratan DN, Yang W. NCIPLOT: a program for plotting non-covalent interaction regions. Journal of Chemical Theory and Computation. 7: 625-632. PMID 21516178 DOI: 10.1021/ct100641a  0.68
2010 Hammill JT, Contreras-García J, Virshup AM, Beratan D, Yang W, Wipf P. Synthesis and chemical diversity analysis of bicyclo[3.3.1]non-3-en-2-ones. Tetrahedron. 66: 5852-5862. PMID 20798897 DOI: 10.1016/j.tet.2010.04.112  0.68
2010 Johnson ER, Keinan S, Mori-Sánchez P, Contreras-García J, Cohen AJ, Yang W. Revealing noncovalent interactions. Journal of the American Chemical Society. 132: 6498-506. PMID 20394428 DOI: 10.1021/ja100936w  0.68
2009 Contreras-García J, Martín-Pendás A, Silvi B, Recio JM. Bases for Understanding Polymerization under Pressure: The Practical Case of CO2. The Journal of Physical Chemistry. B. 113: 1068-73. PMID 19127987 DOI: 10.1021/jp8069546  0.68
2009 Barrier N, Rueff JM, Lepetit MB, Contreras-Garcia J, Malo S, Raveau B. A new polymorph with a layered structure ε-CaTe2O5 Solid State Sciences. 11: 289-293. DOI: 10.1016/j.solidstatesciences.2008.09.014  0.68
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