Chameleon
发表于 2025-3-28 17:52:32
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引起痛苦
发表于 2025-3-28 22:45:36
Liliana Mammino,Davide Ceresoli,Erkki BrändasIncludes state-of-the-art contributions on quantum chemistry from leaders in the field.Offers an interdisciplinary blend of content with a broad appeal.Will benefit experimentalists and theoreticians
繁荣中国
发表于 2025-3-29 01:34:07
Progress in Theoretical Chemistry and Physicshttp://image.papertrans.cn/a/image/149530.jpg
REIGN
发表于 2025-3-29 05:32:10
Conference proceedings 2020s primarily intended for scholars, researchers, and graduate students working at universities and scientific institutes who are interested in the structure, properties, dynamics, and spectroscopy of atoms, molecules, biological systems, and condensed matter..
焦虑
发表于 2025-3-29 08:35:42
Ameen Banjar,Pakawat Pupatwibul,Robin Braunatom are calculated for fourteen leading configurations at CCSD(T)/aug-cc-pVDZ level of theory. Symmetry Adapted Perturbation Theory has been employed for the analysis of the intermolecular potential, revealing that most of the contribution is given by dispersion and exchange forces.
放肆的你
发表于 2025-3-29 14:58:28
Hu Peng,Changshou Deng,Yong Liur MD (as well as for any thermodynamic properties for PIMD). It has been implemented in AMBER (2018/2019 version), which is available for MD/PIMD simulations with force fields, QM/MM, or ab initio methods.
follicular-unit
发表于 2025-3-29 19:22:01
A Quantum Chemical Approach for the Characterization of the Interaction Potential of Propylene Oxideatom are calculated for fourteen leading configurations at CCSD(T)/aug-cc-pVDZ level of theory. Symmetry Adapted Perturbation Theory has been employed for the analysis of the intermolecular potential, revealing that most of the contribution is given by dispersion and exchange forces.
PARA
发表于 2025-3-29 23:17:50
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烦人
发表于 2025-3-30 03:38:38
Conference proceedings 2020Systems in Chemistry, Physics, and Biology (QSCP-XXIII), held in Mopani Camp, The Kruger National Park, South Africa, in September 2018. The content is primarily intended for scholars, researchers, and graduate students working at universities and scientific institutes who are interested in the stru
Acumen
发表于 2025-3-30 07:56:35
1567-7354 ies and scientific institutes who are interested in the structure, properties, dynamics, and spectroscopy of atoms, molecules, biological systems, and condensed matter..978-3-030-34943-1978-3-030-34941-7Series ISSN 1567-7354 Series E-ISSN 2215-0129