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| 關鍵字 (1-12 之 1225)
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 Most relevant titles條目 1-55 |
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| | Accelerating the Discovery of Materials for Energy Capture and Energy Storage Using Quantum ChemistrChoubisa, Hitarth
Ann Arbor : ProQuest Dissertations & Theses, 2023
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| 2023
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| 2
| | Philosophical perspectives in quantum chemistry / edited by Olimpia Lombardi, Juan Camilo Martinez GLombardi, Olimpia, editor
Cham : Springer International Publishing : Imprint: Springer, 2022
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| 2022
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| | Graph Neural Networks and High Throughput Quantum Chemistry Workflows for Detailed Kinetic ModelingSirumalla, Sai Krishna
2021
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| 2021
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| | Lectures on chemical bonding and quantum chemistry [electronic resource] / S. N. DattaDatta, Sambhu N
Singapore : World Scientific Publishing Co. Pte. Ltd., c2019
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| c2019
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| 5
| | Unmasking Underlying Molecular Photophysical Mechanisms Using Quantum ChemistryTaffet, Elliot
2019
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| 2019
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| 6
| | Tensor numerical methods in quantum chemistry [electronic resource] / Venera Khoromskaia, Boris N. KKhoromskaia, Venera
Berlin ; Boston : De Gruyter, c2018
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| c2018
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| 7
| | Frontiers of quantum chemistry [electronic resource] / edited by Marek J. Wojcik ... [et al.]Wojcik, Marek J
Singapore : Springer Singapore : Imprint: Springer, 2018
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| 2018
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| | Non-covalent interactions in quantum chemistry and physics [electronic resource] : theory and applicOtero de la Roza, Alberto
Amsterdam : Elsevier, 2017
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| 2017
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| 9
| | Handbook of relativistic quantum chemistry / edited by Wenjian LiuLiu, Wenjian, editor
Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2017
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| 2017
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| | Principles and applications of quantum chemistry / V.P. GuptaGupta, V. P., 1942- author
London, UK : Academic Press is an imprint of Elsevier, [2016]
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| 2016
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| | Multiconfigurational quantum chemistry / Prof. Bjorn Olof Roos, Roland Lindh, Per Åke Malmqvist, ValRoos, B. O. (Björn O.), author
Hoboken, New Jersey : Wiley, 2016
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| 2016
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| 12
| | Relativistic quantum chemistry [electronic resource] : the fundamental theory of molecular science /Reiher, Markus
Weinheim : Wiley-VCH, c2015
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| c2015
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