palliative-care
发表于 2025-3-23 09:58:43
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Foam-Cells
发表于 2025-3-23 17:02:49
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榨取
发表于 2025-3-23 21:44:00
Transferable Empirical Nonbonded Potential Functions,ce organic crystals, whose crystal structures and experimental lattice energies are known. A review is given of the relevant mathematical procedures (Ewald’s accelerated convergence of lattice sums, force-fit and direct-parameter-fit methods).
臭了生气
发表于 2025-3-24 00:48:34
Slipped Versus Eclipsed Stacking of Tetrathiafulvalene (TTF) and Tetracyanoquinodimethane (TCNQ) Dider to understand this ordering, calculations are performed for the isolated dimers (TTF., TCNQ., and their ions) as a function of “slip”. The dimer calculations first use semiempirical molecular orbital (MO) theory (extended Hückel, CNDO/2) and finally the Gordon-Kim density functional method.
Inculcate
发表于 2025-3-24 05:14:18
https://doi.org/10.1007/978-3-642-81577-5Energies; Kohäsion; Konformation; Kristallstruktur; Molekülkristall; chemistry; cohesion; crystal; crystal s
狗舍
发表于 2025-3-24 06:43:08
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埋伏
发表于 2025-3-24 13:33:22
Crystal Cohesion and Conformational Energies978-3-642-81577-5Series ISSN 0342-6793
HIKE
发表于 2025-3-24 18:02:24
Lecture Notes in Earth Sciencesce organic crystals, whose crystal structures and experimental lattice energies are known. A review is given of the relevant mathematical procedures (Ewald’s accelerated convergence of lattice sums, force-fit and direct-parameter-fit methods).
ANN
发表于 2025-3-24 19:23:18
The generalised source spectrum,der to understand this ordering, calculations are performed for the isolated dimers (TTF., TCNQ., and their ions) as a function of “slip”. The dimer calculations first use semiempirical molecular orbital (MO) theory (extended Hückel, CNDO/2) and finally the Gordon-Kim density functional method.
座右铭
发表于 2025-3-25 01:17:26
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