FACET
发表于 2025-3-28 18:37:47
E. R. Caianielloh treat the solvent as a polarizable continuum, are compared with results obtained via treatment of discrete interactions with individual solvent molecules. The effect of solvation upon CH··O H-bonds is very much like its influence upon conventional OH··O bonds. Results obtained with a continuum mod
Acupressure
发表于 2025-3-28 19:33:35
Shun-ichi Amarihe major soil constituents are modeled by means of representative functional groups. Their capability to form hydrogen bonds is demonstrated on interactions with selected sets of polar molecules, anions and acidic pesticides, particularly 2,4-dichlorophenoxyacetic. It was shown that anionic species
output
发表于 2025-3-29 02:57:49
G. Palm have been specifically developed to handle solvation effectThe incessant development of quantum chemistry since the appearance of the Schrodinger ¨ equation has turned this area into a respectable branch of science with unprecedented capabilities. It is now a well-recognized eld of research with pr
Myocarditis
发表于 2025-3-29 05:46:22
M. Weickistry since the requirement for a high (chemical) accuracy collides with the large system sizes and long timescales involved. In the last years much effort has been invested into the development of theoretical approaches that allow (i) the treatment of systems of large size with sufficient accuracy
密切关系
发表于 2025-3-29 09:05:41
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流眼泪
发表于 2025-3-29 11:53:24
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FUME
发表于 2025-3-29 16:37:07
W. Banzhaf example, it is known that surface pressure (the difference between the surface tensions of the covered and clean liquid surfaces)-surface area per molecule isotherms of a liquid supported amphiphile monolayer resemble pressure-volume isotherms for a three dimensional system in that there are well d
玉米棒子
发表于 2025-3-29 21:37:58
is forced on us by the fact that a good fit to LEED data requires fixing all atom positions that deviate significantly from bulk positions. Hence many cases of deep structure, i.e., deviations extending several atomic layers below the top layer have been found. Especially studies of multilayer relax
隐语
发表于 2025-3-30 01:01:38
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混合物
发表于 2025-3-30 05:19:37
J. A. S. Kelso,G. C. deGuzman example, it is known that surface pressure (the difference between the surface tensions of the covered and clean liquid surfaces)-surface area per molecule isotherms of a liquid supported amphiphile monolayer resemble pressure-volume isotherms for a three dimensional system in that there are well d