Julia Contreras-García

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Soavtorji

Weitao YangPhilip Handler Professor, Department of Chemistry, Duke UniversityPreverjeni e-poštni naslov na duke.edu
Jean-Philip PiquemalDistinguished Professor of Theoretical Chemistry, Sorbonne UniversitéPreverjeni e-poštni naslov na sorbonne-universite.fr
Robin ChaudretSchrödingerPreverjeni e-poštni naslov na schrodinger.com
Ángel Martín PendásProfesor de Química Física (UOV)Preverjeni e-poštni naslov na uniovi.es
David N. BeratanR.J. Reynolds Professor, Department of Chemistry, Duke UniversityPreverjeni e-poštni naslov na duke.edu
Bernard SilviProfesseur émérite, Laboratoire de Chimie Théorique, Université Pierre et Marie CuriePreverjeni e-poštni naslov na lct.jussieu.fr
Henry S. RzepaEmeritus Professor of Computational Chemistry, Imperial College LondonPreverjeni e-poštni naslov na imperial.ac.uk
Carlo GattiDirigente di Ricerca, CNR-SCITEC, Istituto di Scienze e Tecnologie Chimiche, sezione di via GolgiPreverjeni e-poštni naslov na scitec.cnr.it
Alberto Otero de la RozaUniversity of Oviedo, SpainPreverjeni e-poštni naslov na fluor.quimica.uniovi.es
Peter WipfProfessor of Chemistry, University of PittsburghPreverjeni e-poštni naslov na pitt.edu
Monica Calatayud-AntoninoSorbonne UniversitéPreverjeni e-poštni naslov na sorbonne-universite.fr
Aaron M. Virshup, PhDAutodesk ResearchPreverjeni e-poštni naslov na duke.edu
Julien TiernyFrench National Centre for Scientific Research, Sorbonne UniversityPreverjeni e-poštni naslov na sorbonne-universite.fr
Professor Jo LaneUniversity of WaikatoPreverjeni e-poštni naslov na waikato.ac.nz
Benjamin J. MillerChemistry Department, University of OtagoPreverjeni e-poštni naslov na otago.ac.nz
Miquel Solà Puig (ORCID: 0000-0002-...University of Girona / Universitat de Girona (GRID grid.5319.e / ROR 01xdxns91)Preverjeni e-poštni naslov na udg.edu
Graeme AcklandUniversity of EdinburghPreverjeni e-poštni naslov na ed.ac.uk
Lars F LundegaardSenior Principal Scientist, Haldor TopsoePreverjeni e-poštni naslov na topsoe.com
zehnacker anneInstitut des Sciences Moléculaires d'Orsay CNRS Université Paris SudPreverjeni e-poštni naslov na u-psud.fr
Benoit de CourcyUPMC Paris 6Preverjeni e-poštni naslov na lct.jussieu.fr

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Julia Contreras-García

CNRS & Sorbonne Université

Preverjeni e-poštni naslov na lct.jussieu.fr - Domača stran


Naslov Razvrsti po navedbah Razvrsti po letniku Razvrsti po naslovu	Navedeno Navedeno	Leto
Revealing noncovalent interactions ER Johnson, S Keinan, P Mori-Sánchez, J Contreras-García, AJ Cohen, ... Journal of the American Chemical Society 132 (18), 6498-6506, 2010	8089	2010
NCIPLOT: a program for plotting noncovalent interaction regions J Contreras-García, ER Johnson, S Keinan, R Chaudret, JP Piquemal, ... Journal of chemical theory and computation 7 (3), 625-632, 2011	3631	2011
Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density C Lefebvre, G Rubez, H Khartabil, JC Boisson, J Contreras-García, ... Physical Chemistry Chemical Physics 19 (27), 17928-17936, 2017	1343	2017
Are bond critical points really critical for hydrogen bonding? JR Lane, J Contreras-García, JP Piquemal, BJ Miller, HG Kjaergaard Journal of Chemical Theory and Computation 9 (8), 3263-3266, 2013	480	2013
Analysis of hydrogen-bond interaction potentials from the electron density: integration of noncovalent interaction regions J Contreras-García, W Yang, ER Johnson The Journal of Physical Chemistry A 115 (45), 12983-12990, 2011	434	2011
The independent gradient model: a new approach for probing strong and weak interactions in molecules from wave function calculations C Lefebvre, H Khartabil, JC Boisson, J Contreras‐García, JP Piquemal, ... ChemPhysChem 19 (6), 724-735, 2018	366	2018
Revealing non-covalent interactions in solids: NCI plots revisited A Otero-De-La-Roza, ER Johnson, J Contreras-García Physical Chemistry Chemical Physics 14 (35), 12165-12172, 2012	363	2012
Tuning azoheteroarene photoswitch performance through heteroaryl design J Calbo, CE Weston, AJP White, HS Rzepa, J Contreras-García, ... Journal of the American Chemical Society 139 (3), 1261-1274, 2017	349	2017
Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds AM Virshup, J Contreras-García, P Wipf, W Yang, DN Beratan Journal of the American Chemical Society 135 (19), 7296-7303, 2013	320	2013
NCIPLOT4: fast, robust, and quantitative analysis of noncovalent interactions RA Boto, F Peccati, R Laplaza, C Quan, A Carbone, JP Piquemal, ... Journal of Chemical Theory and Computation 16 (7), 4150-4158, 2020	229	2020
Revealing non‐covalent interactions in molecular crystals through their experimental electron densities G Saleh, C Gatti, L Lo Presti, J Contreras‐García Chemistry–A European Journal 18 (48), 15523-15536, 2012	226	2012
The Houk–List transition states for organocatalytic mechanisms revisited A Armstrong, RA Boto, P Dingwall, J Contreras-Garcia, MJ Harvey, ... Chemical Science 5 (5), 2057-2071, 2014	193	2014
New way for probing bond strength J Klein, H Khartabil, JC Boisson, J Contreras-García, JP Piquemal, ... The Journal of Physical Chemistry A 124 (9), 1850-1860, 2020	184	2020
Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy R Chaudret, B De Courcy, J Contreras-Garcia, E Gloaguen, ... Physical Chemistry Chemical Physics 16 (21), 9876-9891, 2014	184	2014
A benchmark for the non-covalent interaction (NCI) index or… is it really all in the geometry? J Contreras-García, RA Boto, F Izquierdo-Ruiz, I Reva, T Woller, M Alonso Theoretical Chemistry Accounts 135, 1-14, 2016	164	2016
Interpretation of the reduced density gradient RA Boto, J Contreras-García, J Tierny, JP Piquemal Molecular Physics 114 (7-8), 1406-1414, 2016	164	2016
Quantum crystallography: Current developments and future perspectives A Genoni, L Bučinský, N Claiser, J Contreras‐García, B Dittrich, ... Chemistry–A European Journal 24 (43), 10881-10905, 2018	149	2018
Revealing strong interactions with the reduced density gradient: a benchmark for covalent, ionic and charge-shift bonds RA Boto, JP Piquemal, J Contreras-García Theoretical Chemistry Accounts 136, 1-9, 2017	140	2017
Understanding the Fundamental Role of π/π, σ/σ, and σ/π Dispersion Interactions in Shaping Carbon‐Based Materials M Alonso, T Woller, FJ Martín‐Martínez, J Contreras‐García, P Geerlings, ... Chemistry–A European Journal 20 (17), 4931-4941, 2014	140	2014
Nine questions on energy decomposition analysis J Andrés, PW Ayers, RA Boto, R Carbó‐Dorca, H Chermette, J Cioslowski, ... Journal of Computational Chemistry 40 (26), 2248-2283, 2019	136	2019

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