Search Results - "García García, Julia" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

New Way for Probing Bond Strength

New Way for Probing Bond Strength

by Klein, Johanna, Khartabil, Hassan, Boisson, Jean-Charles, Contreras-García, Julia, Piquemal, Jean-Philip, Hénon, Eric
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.03.2020)

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The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations

The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations

by Lefebvre, Corentin, Khartabil, Hassan, Boisson, Jean‐Charles, Contreras‐García, Julia, Piquemal, Jean‐Philip, Hénon, Eric
Published in Chemphyschem (19.03.2018)

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

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

by Contreras-García, Julia, Yang, Weitao, Johnson, Erin R
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.11.2011)

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

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

by Lefebvre, Corentin, Rubez, Gaëtan, Khartabil, Hassan, Boisson, Jean-Charles, Contreras-García, Julia, Hénon, Eric
Published in Physical chemistry chemical physics : PCCP (2017)

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NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

by Contreras-García, Julia, Johnson, Erin R, Keinan, Shahar, Chaudret, Robin, Piquemal, Jean-Philip, Beratan, David N, Yang, Weitao
Published in Journal of chemical theory and computation (08.03.2011)

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Revealing Noncovalent Interactions

Revealing Noncovalent Interactions

by Johnson, Erin R, Keinan, Shahar, Mori-Sánchez, Paula, Contreras-García, Julia, Cohen, Aron J, Yang, Weitao
Published in Journal of the American Chemical Society (12.05.2010)

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Are Bond Critical Points Really Critical for Hydrogen Bonding?

Are Bond Critical Points Really Critical for Hydrogen Bonding?

by Lane, Joseph R, Contreras-García, Julia, Piquemal, Jean-Philip, Miller, Benjamin J, Kjaergaard, Henrik G
Published in Journal of chemical theory and computation (13.08.2013)

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

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

by Virshup, Aaron M, Contreras-García, Julia, Wipf, Peter, Yang, Weitao, Beratan, David N
Published in Journal of the American Chemical Society (15.05.2013)

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Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design

Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design

by Calbo, Joaquín, Weston, Claire E, White, Andrew J. P, Rzepa, Henry S, Contreras-García, Julia, Fuchter, Matthew J
Published in Journal of the American Chemical Society (25.01.2017)

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Videoconference-Supervised Group Exercise Reduces Low Back Pain in Eldercare Workers: Results from the ReViEEW Randomised Controlled Trial

Videoconference-Supervised Group Exercise Reduces Low Back Pain in Eldercare Workers: Results from the ReViEEW Randomised Controlled Trial

by Espin, Ander, Irazusta, Jon, Aiestaran, Maialen, Latorre Erezuma, Unai, García-García, Julia, Arrinda, Ismene, Acedo, Karmele, Rodriguez-Larrad, Ana
Published in Journal of occupational rehabilitation (17.04.2024)

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An Organocopper(III) Fluoride Triggering C−CF3 Bond Formation

An Organocopper(III) Fluoride Triggering C−CF3 Bond Formation

by Joven‐Sancho, Daniel, Echeverri, Andrea, Saffon‐Merceron, Nathalie, Contreras‐García, Julia, Nebra, Noel
Published in Angewandte Chemie International Edition (11.03.2024)

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

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

by Saleh, Gabriele, Gatti, Carlo, Lo Presti, Leonardo, Contreras-García, Julia
Published in Chemistry : a European journal (26.11.2012)

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Conformational preference analysis in C2H6 using orbital forces and non-covalent interactions; comparison with related systems

Conformational preference analysis in C2H6 using orbital forces and non-covalent interactions; comparison with related systems

by Novoa, Trinidad, Contreras-García, Julia, Chaquin, Patrick
Published in Physical chemistry chemical physics : PCCP (01.02.2023)

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Conformational preference analysis in C 2 H 6 using orbital forces and non-covalent interactions; comparison with related systems

Conformational preference analysis in C 2 H 6 using orbital forces and non-covalent interactions; comparison with related systems

by Novoa, Trinidad, Contreras-García, Julia, Chaquin, Patrick
Published in Physical chemistry chemical physics : PCCP (01.02.2023)

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Orbital energies and nuclear forces in DFT: Interpretation and validation

Orbital energies and nuclear forces in DFT: Interpretation and validation

by Laplaza, Rubén, Cárdenas, Carlos, Chaquin, Patrick, Contreras‐García, Julia, Ayers, Paul W.
Published in Journal of computational chemistry (15.02.2021)

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In vitro PGPR properties and osmotic tolerance of different Azospirillum native strains and their effects on growth of maize under drought stress

In vitro PGPR properties and osmotic tolerance of different Azospirillum native strains and their effects on growth of maize under drought stress

by García, Julia E., Maroniche, Guillermo, Creus, Cecilia, Suárez-Rodríguez, Ramón, Ramirez-Trujillo, José Augusto, Groppa, María D.
Published in Microbiological research (01.09.2017)

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Revealing non-covalent interactions in solids: NCI plots revisited

Revealing non-covalent interactions in solids: NCI plots revisited

by Otero-de-la-Roza, Alberto, Johnson, Erin R, Contreras-García, Julia
Published in Physical chemistry chemical physics : PCCP (21.09.2012)

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Quantum Crystallography: Current Developments and Future Perspectives

Quantum Crystallography: Current Developments and Future Perspectives

by Genoni, Alessandro, Bučinský, Lukas, Claiser, Nicolas, Contreras‐García, Julia, Dittrich, Birger, Dominiak, Paulina M., Espinosa, Enrique, Gatti, Carlo, Giannozzi, Paolo, Gillet, Jean‐Michel, Jayatilaka, Dylan, Macchi, Piero, Madsen, Anders Ø., Massa, Lou, Matta, Chérif F., Merz, Kenneth M., Nakashima, Philip N. H., Ott, Holger, Ryde, Ulf, Schwarz, Karlheinz, Sierka, Marek, Grabowsky, Simon
Published in Chemistry : a European journal (01.08.2018)

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Valence‐Shell Electron‐Pair Repulsion Theory Revisited: An Explanation for Core Polarization

Valence‐Shell Electron‐Pair Repulsion Theory Revisited: An Explanation for Core Polarization

by Munárriz, Julen, Calatayud, Mónica, Contreras‐García, Julia
Published in Chemistry : a European journal (14.08.2019)

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NCI-ELMO: A New Method To Quickly and Accurately Detect Noncovalent Interactions in Biosystems

NCI-ELMO: A New Method To Quickly and Accurately Detect Noncovalent Interactions in Biosystems

by Arias-Olivares, David, Wieduwilt, Erna K, Contreras-García, Julia, Genoni, Alessandro
Published in Journal of chemical theory and computation (12.11.2019)

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