CUB
发表于 2025-3-28 17:47:48
Magnetic, Electric, and Mechanical Properties of Polymerseviation EN denotes all the electron—nuclear interaction terms in the chain. In equation (10.3) summation over . indicates, as before, summation over all filled bands and integration in .-space over the first Brillouin zone.
含水层
发表于 2025-3-28 22:03:53
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ROOF
发表于 2025-3-29 00:20:08
Hartree-Fock Crystal-Orbital Theory of Periodic Polymers χ. = χ. (. — .. — ..) is the .th atomic orbital (AO) (corresponding to the atom with position vector r.) in the cell characterized by the vector .. = .... + .... + .... (.. = − .,..., 0,..., .), where .., .., and .. are the three basis vectors of the crystal.
隐士
发表于 2025-3-29 05:26:31
Vibrational Spectra and Transport Properties of Polymers Pulay,. while the second derivative is obtained by numerical methods.. It should be noted that, is some cases, both differentiations have been performed analytically after fitting the calculated potential hypersurfaces to quadratic potential-energy functions with the help of least-square methods..
猛击
发表于 2025-3-29 10:13:11
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被诅咒的人
发表于 2025-3-29 12:54:44
Introductiontechnological application (such as batteries). To understand the different physical and chemical properties of polymers, which in the case of biopolymers also determine their biological functions, one has to have a fair knowledge of their electronic structure.
混合
发表于 2025-3-29 16:19:21
Interaction between Polymersthe energy contributions of order .... may be subdivided into the charge transfer energy .. and the exchange polarization and exchange dispersion terms due to the exchange. Since the latter two terms are much smaller than the others, one can neglect them in the calculations.
vitreous-humor
发表于 2025-3-29 21:07:58
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对待
发表于 2025-3-30 00:04:10
Introductionntal significance in life processes. In the last decade highly conducting polymers like doped polyacetylene, (SN)., or the TCNQ-TTF system, with quasi-one-dimensional alternating stacks of the two different types of molecule embedded in a three-dimensional molecular crystal, have become objects of e