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1
المؤلفون: George C. Schatz, Karol Kowalski, Prakash Verma, Roberto D. Lins, H. J. J. van Dam, D. M. A. Smith, Roberto Peverati, Aleksandr V. Marenich, Nicholas P. Bauman, M. Krishnan, Wan Yong Ma, Chan-Shan Yang, Y. Chen, Rika Kobayashi, T. Pirojsirikul, Lasse Jensen, Daniel R. Nascimento, Michael Klemm, So Hirata, Yan Zhao, M. J. O. Deegan, Kenneth Lopata, Daniel Mejía-Rodríguez, Benny G. Johnson, Jiri Pittner, Kiril Tsemekhman, Edoardo Aprà, W. A. de Jong, Kimihiko Hirao, Jorge Garza, Theresa L. Windus, Oreste Villa, Soumen Ghosh, Jeffery S. Boschen, Eric D. Hermes, K. Bhaskaran-Nair, J. Martin del Campo, Krzysztof Wolinski, Daniel W. Silverstein, Kenneth G. Dyall, J. Anchell, Qin Wu, Gennady N. Chuev, L. Pollack, J. Nieplocha, Stuart Bogatko, Christopher J. Cramer, Duo Song, P. Sadayappan, Jeffrey C. Becca, Abhinav Vishnu, Yuri Alexeev, Eric J. Bylaska, Thom H. Dunning, Piotr Borowski, Vinod Tipparaju, Jeffrey A. Nichols, T. P. Straatsma, Alberto Otero-de-la-Roza, T. Van Voorhis, Jeff Daily, Donald G. Truhlar, Emilie Cauet, Jochen Autschbach, Marcel Swart, V. Konkov, G. S. Thomas, Rik J. Littlefield, Justin E. Moore, Zhiyong Zhang, Kurt R. Glaesemann, Q. Yu, Nitin A. Gawande, Bruce J. Palmer, Zijing Lin, Raymond Atta-Fynn, Fredy W. Aquino, Laura Gagliardi, Marat Valiev, Adam Bruner, Ricky A. Kendall, Jonathan M. Mullin, Andreas W. Götz, Dunyou Wang, Ryan M. Richard, V. Anisimov, Mathias Jacquelin, P. J. Nichols, Martin Zacharias, Takahito Nakajima, Jiří Brabec, David E. Bernholdt, George I. Fann, Ajay Panyala, Michel Dupuis, Andrew J. Logsdail, Thereza A. Soares, A. T. Wong, Mark J. Williamson, Hannes Jónsson, Alexandr Fonari, Robert W. Harrison, H. L. Taylor, Herbert A. Früchtl, William A. Shelton, Sriram Krishnamoorthy, Bo Peng, Sean A. Fischer, Niranjan Govind, Álvaro Vázquez-Mayagoitia, Konstantinos D. Vogiatzis, Volkhard Helms, Jeff R. Hammond, John H. Weare
المساهمون: University of St Andrews. School of Chemistry, University of St Andrews. EaSTCHEM
المصدر: The Journal of Chemical Physics, 2020, vol. 152, núm. 18, p. 182102
Articles publicats (D-Q)
DUGiDocs – Universitat de Girona
instname
Scopus
RUO. Repositorio Institucional de la Universidad de Oviedo
Universidad de las Islas Balearesمصطلحات موضوعية: Chemical Physics (physics.chem-ph), 010304 chemical physics, Chemistry -- Data processing, Suite, Parallel algorithm, NDAS, General Physics and Astronomy, Design elements and principles, FOS: Physical sciences, Computational Physics (physics.comp-ph), 010402 general chemistry, QD Chemistry, 01 natural sciences, Química -- Informàtica, 0104 chemical sciences, Outreach, Química -- Simulació per ordinador, Physics - Chemical Physics, 0103 physical sciences, Systems engineering, QD, Physical and Theoretical Chemistry, Physics - Computational Physics, Chemistry -- Computer simulation, Electronic properties
وصف الملف: application/pdf
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2
المؤلفون: Li Gang Gai, Wan Yong Ma, Xiao Yun Han, Xin Cheng Chen
المصدر: Advanced Materials Research. 549:301-304
مصطلحات موضوعية: Reaction rate constant, Variational transition-state theory, Chemistry, General Engineering, Thermodynamics, Atmospheric temperature range, Quantum chemistry, Transition state
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::f0a4bfe1983b07d18012d1420c35e833
https://doi.org/10.4028/www.scientific.net/amr.549.301 -
3
المؤلفون: Zhengting Cai, Wan-Yong Ma, Dacheng Feng, Conghao Deng
المصدر: Chinese Journal of Chemistry. 17:331-335
مصطلحات موضوعية: Reaction dynamics, Chemistry, Scientific method, Ionic bonding, General Chemistry, Reaction system, Scattering theory, State (functional analysis), Atomic physics, Ion pairs, Potential energy
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4
المؤلفون: Wan Yong Ma, Chuan Lu, Yu Zhen Fang, Jian Hua Zhou
المصدر: Chinese Chemical Letters. 20:374-377
مصطلحات موضوعية: chemistry.chemical_compound, Computational chemistry, Chemistry, Chlorobenzene, Aryl, Density functional theory, General Chemistry, Singlet state
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5
المؤلفون: Chuan Lu, Wan-Yong Ma, Yu-Zhen Fang, Jian-Hua Zhou, Jian-Guo Wu
المصدر: Journal of Molecular Structure: THEOCHEM. 857:51-56
مصطلحات موضوعية: chemistry.chemical_classification, Reaction mechanism, Addition reaction, Double bond, Chemistry, Condensed Matter Physics, Biochemistry, Quantum chemistry, Transition state, Computational chemistry, Atom, Density functional theory, Physical and Theoretical Chemistry, Solvent effects
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6
المؤلفون: Wan Yong Ma, Yu Zhen Fang, Chuan Lu, Jian Hua Zhou
المصدر: Chinese Chemical Letters. 19:493-496
مصطلحات موضوعية: chemistry.chemical_classification, Solvent, Addition reaction, Double bond, chemistry, Computational chemistry, Density functional theory, General Chemistry, Solvent effects, Chemical synthesis, Quantum chemistry, Transition state
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المؤلفون: Jin Guang Ma, Wan Yong Ma, Jian Hua Zhou, Hai Hui Jiang, Ji Ming Zhang
المصدر: Chinese Chemical Letters. 19:375-378
مصطلحات موضوعية: Benzaldehyde, chemistry.chemical_compound, Reaction mechanism, Chemistry, Ethyl acetoacetate, Biginelli reaction, Condensation, Urea, General Chemistry, Medicinal chemistry, Transition state
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المؤلفون: Yue-Feng Zhu, Yu-Zhen Fang, Jian-Hua Zhou, Wan-Yong Ma
المصدر: Journal of Molecular Structure: THEOCHEM. 817:77-81
مصطلحات موضوعية: Chemistry, Computational chemistry, Solvent polarity, Physical chemistry, Intrinsic reaction coordinate, Physical and Theoretical Chemistry, Solvent effects, Total energy, Condensed Matter Physics, Biochemistry, Tautomer, Isomerization, Gas phase
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9
المؤلفون: Wen-Zhu Wan, Yong-Tao Wang, Gui-Mei Tang, Wan-Yong Ma
المصدر: Polyhedron. 26:782-790
مصطلحات موضوعية: Hydrogen bond, Stereochemistry, Coordination polymer, Ligand, Supramolecular chemistry, Oxadiazole, Inorganic Chemistry, Solvent, Metal, chemistry.chemical_compound, Crystallography, chemistry, visual_art, Materials Chemistry, visual_art.visual_art_medium, Physical and Theoretical Chemistry, Luminescence
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المؤلفون: Xiaomin Sun, Wan-Yong Ma, Dong-Hui Zhang, Zhengting Cai, Dacheng Feng
المصدر: Journal of the Chinese Chemical Society. 50:703-706
مصطلحات موضوعية: Quantum chemical, Electron nuclear double resonance, Chemistry, Ab initio, General Chemistry, Scattering theory, Atomic physics, Feshbach resonance, Wave function, Linear combination, Resonance (particle physics)