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1دورية أكاديمية
المؤلفون: Timothy W. Marin, Ireneusz Janik, David M. Bartels, Daniel M. Chipman
المصدر: Nature Communications, Vol 8, Iss 1, Pp 1-9 (2017)
مصطلحات موضوعية: Science
وصف الملف: electronic resource
Relation: https://doaj.org/toc/2041-1723
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2
المؤلفون: Daniel M. Chipman, Anna V. Pomogaeva
المصدر: The Journal of Physical Chemistry A. 119:5173-5180
مصطلحات موضوعية: Aqueous solution, Hydrogen bond, Chemistry, Implicit solvation, Solvation, Thermodynamics, Electronic structure, Solvent, chemistry.chemical_compound, Computational chemistry, Physics::Chemical Physics, Physical and Theoretical Chemistry, Dispersion (chemistry), Acetonitrile
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3
المؤلفون: Daniel M. Chipman
المصدر: The journal of physical chemistry. A. 120(48)
مصطلحات موضوعية: Water dimer, 010304 chemical physics, Absorption spectroscopy, Chemistry, Dimer, Electronic structure, 010402 general chemistry, Photochemistry, Resonance (chemistry), 01 natural sciences, 0104 chemical sciences, symbols.namesake, chemistry.chemical_compound, Coupled cluster, Chemical physics, Excited state, 0103 physical sciences, Physics::Atomic and Molecular Clusters, symbols, Physical and Theoretical Chemistry, Raman spectroscopy
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4
المؤلفون: Daniel M. Chipman
مصطلحات موضوعية: Chemistry, Computational chemistry, Implicit solvation, Bibliography, Solvation model, Electronic structure, Statistical physics, Dielectric
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::6b005dfe2ccf72505a431c2f92caf004
https://doi.org/10.2172/1234921 -
5
المؤلفون: Daniel M. Chipman, Anna Pomogaeva
المصدر: Journal of chemical theory and computation. 10(1)
مصطلحات موضوعية: Solvent, Chemistry, Computational chemistry, Hydrogen bond, Computation, Ionic bonding, Charge density, Thermodynamics, Physical and Theoretical Chemistry, Hydration energy, Electrostatics, Dispersion (chemistry), Computer Science Applications
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6
المؤلفون: Daniel M. Chipman, Anna Pomogaeva
المصدر: Journal of Chemical Theory and Computation. 7:3952-3960
مصطلحات موضوعية: Nonlinear system, Chemistry, Computational chemistry, Implicit solvation, Electric field, Solvation, Thermodynamics, Dielectric, Electronic structure, Physical and Theoretical Chemistry, Electrostatics, Basis set, Computer Science Applications
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7
المؤلفون: Daniel M. Chipman, Anna Pomogaeva, Daniel W. Thompson
المصدر: Chemical Physics Letters. 511:161-165
مصطلحات موضوعية: Solvent, Maxima and minima, Chemistry, Electric field, General Physics and Astronomy, Ionic bonding, Thermodynamics, Free energies, Dielectric, Physical and Theoretical Chemistry, Atomic physics, Electrostatics, Ion
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8
المؤلفون: Daniel M. Chipman
المصدر: International Journal of Quantum Chemistry. 12:365-377
مصطلحات موضوعية: Density matrix, Mathematical model, Atomic orbital, Koopmans' theorem, Chemistry, Quantum mechanics, Bound state, Function (mathematics), Photoionization, Physical and Theoretical Chemistry, Condensed Matter Physics, Wave function, Atomic and Molecular Physics, and Optics
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9
المؤلفون: Getahun Merga, Laura C. Cass, Daniel M. Chipman, Dan Meisel
المصدر: Journal of the American Chemical Society. 130:7067-7076
مصطلحات موضوعية: Hydrogen, Chemistry, Inorganic chemistry, chemistry.chemical_element, General Chemistry, Electron, Biochemistry, Catalysis, Silver nanoparticle, Ion, symbols.namesake, Colloid, Colloid and Surface Chemistry, symbols, Particle, Molecule, sense organs, skin and connective tissue diseases, Raman scattering
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10
المؤلفون: Kristina D. Closser, Trilisa M. Perrine, Tamar Stein, Vitaly A. Rassolov, Roberto Peverati, Alexander Prociuk, William A. Goddard, Barry D. Dunietz, Henry F. Schaefer, Ilya Kaliman, Sina Yeganeh, Martin Head-Gordon, Ben Albrecht, Mark A. Watson, Donald G. Truhlar, Joseph E. Subotnik, Dmytro Kosenkov, Andreas Klamt, Andrew Behn, Caroline M. Krauter, Zhengting Gan, Jia Deng, Bernard R. Brooks, Darragh P. O’Neill, Yan Zhao, David Casanova, Arieh Warshel, Christopher J. Cramer, John M. Herbert, Richard G. Edgar, Yu-Chuan Su, Simon A. Maurer, Andrew T. B. Gilbert, Joseph Gomes, C. David Sherrill, Eric Neuscamman, Michael Wormit, Ethan Alguire, Ryan P. Steele, Yousung Jung, David W. Small, Keith V. Lawler, Eric J. Sundstrom, Tao Wang, Edward G. Hohenstein, Jae-Hoon Kim, Phil Klunzinger, Andreas Dreuw, Paul R. Horn, Alexander J. Sodt, Dirk R. Rehn, Tomasz Kuś, Shaama Mallikarjun Sharada, Ryan M. Richard, Xing Zhang, Roberto Olivares-Amaya, Jan Wenzel, Chao-Ping Hsu, David Stück, Joerg Kussmann, Brian J. Austin, Andreas W. Hauser, Narbe Mardirossian, Leslie Vogt, Debashree Ghosh, Emil Proynov, John Parkhill, Ksenia B. Bravaya, Magnus W. D. Hanson-Heine, Alán Aspuru-Guzik, Young Min Rhee, Zhi-Qiang You, WanZhen Liang, Arie Landau, An Ghysels, Rollin A. King, Jie Liu, Hainam Do, Deborah L. Crittenden, Kirill Khistyaev, Peter Gill, Thomas R. Furlani, Daniel S. Lambrecht, Oleg A. Vydrov, Sandeep Sharma, Lyudmila V. Slipchenko, Shervin Fatehi, Kai Brandhorst, Fenglai Liu, Christopher F. Williams, Yves A. Bernard, Jihan Kim, Laszlo Fusti-Molnar, Shane R. Yost, Xintian Feng, Evgeny Epifanovsky, Troy Van Voorhis, Philipp H. P. Harbach, Alec F. White, Shawn T. Brown, Alex J. W. Thom, Xin Xu, Eric J. Berquist, Rohini C. Lochan, Alexis T. Bell, Thomas-C. Jagau, Adèle D. Laurent, Ester Livshits, Jun Yang, Michael W. Schmidt, H. Lee Woodcock, Steven R. Gwaltney, Roi Baer, Garnet Kin-Lic Chan, Dmitry Zuev, Zachary C. Holden, Vitalii Vanovschi, Takashi Tsuchimochi, Nicholas J. Russ, Aleksandr V. Marenich, Adrian W. Lange, Yihan Shao, C. Melania Oana, Anthony D. Dutoi, Robert A. DiStasio, Leif D. Jacobson, Jing Kong, Yunqing Chen, Michael Diedenhofen, Anna Golubeva-Zadorozhnaya, Mary A. Rohrdanz, Warren J. Hehre, Arne Luenser, Prashant Uday Manohar, Ka Un Lao, Nicholas J. Mayhall, Rustam Z. Khaliullin, Edina Rosta, Samuel F. Manzer, Tim Kowalczyk, Sergey V. Levchenko, Nicholas A. Besley, Benjamin Kaduk, Shan-Ping Mao, Matthew Goldey, Daniel M. Chipman, Anna I. Krylov, Mark S. Gordon, Igor Ying Zhang, Jeng-Da Chai, Siu Hung Chien, Hyunjun Ji, Gregory J. O. Beran, Ching Yeh Lin, Paul M. Zimmerman, Christian Ochsenfeld, Chun-Min Chang
المساهمون: Institut für Physikalische Chemie, Universität Mainz, Department of Chemistry [Berkeley], University of California [Berkeley], University of California-University of California, China Earthquake Networks Center, China Earthquake Administration (CEA), University of Minnesota System, Department of Chemistry, Supercomputing Institute, and Chemical Theory Center, University of Minnesota [Twin Cities] (UMN), University of Minnesota System-University of Minnesota System, COSMOlogic GmbH & Co KG, Institute of Physical and Theoretical Chemistry, Universität Regensburg (UR), Department of Chemistry, Minnesota Supercomputing Institute, and Chemical Theory Center, Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS), University of Frankfurt, Department of Mathematics [Shanghai], Shanghai Jiao Tong University [Shanghai], Chemistry, Ludwig-Maximilians-Universität München (LMU), Eberhard Karls Universität Tübingen = Eberhard Karls University of Tuebingen, Chaire Sciences des Systèmes et Défis Energétiques EDF/ECP/Supélec (SSEC), Ecole Centrale Paris-Ecole Supérieure d'Electricité - SUPELEC (FRANCE)-CentraleSupélec-EDF R&D (EDF R&D), EDF (EDF)-EDF (EDF), Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST), Chimie Et Interdisciplinarité : Synthèse, Analyse, Modélisation (CEISAM), Université de Nantes - UFR des Sciences et des Techniques (UN UFR ST), Université de Nantes (UN)-Université de Nantes (UN)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), University of California [Berkeley] (UC Berkeley), University of California (UC)-University of California (UC), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC), Université de Nantes (UN)-Université de Nantes (UN)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
المصدر: Molecular Physics
Molecular Physics, Taylor & Francis, 2015, 113 (2), pp.184-215. ⟨10.1080/00268976.2014.952696⟩
Molecular Physics, 2015, 113 (2), pp.184-215. ⟨10.1080/00268976.2014.952696⟩مصطلحات موضوعية: Physics, electronic structure theory, Orbital-free density functional theory, software, Implicit solvation, Intermolecular force, computational modelling, Biophysics, electron correlation, Condensed Matter Physics, Quantum chemistry, quantum chemistry, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Coupled cluster, Atomic orbital, Quantum mechanics, Excited state, Density functional theory, Statistical physics, Physical and Theoretical Chemistry, Q-Chem, Molecular Biology, density functional theory