讥讽 发表于 2025-3-26 23:51:16

https://doi.org/10.1007/978-1-60327-403-6d density functional methods, whereas semi-empirical methods are covered only briefly. Methodological differences and the relative performance of various approaches are discussed critically, in particular regarding the treatment of spin-orbit coupling and of electron correlation. First applications

乞讨 发表于 2025-3-27 03:21:36

https://doi.org/10.1007/978-1-4020-5597-3eviewed. Both spin–spin dipolar (..) and spin–orbit (..) coupling terms appearing in the first and second order, respectively, in the perturbation theory starting from the non-relativistic Schrödinger equation are focused on. Theoretical frameworks for the .. and .. tensors in terms of ab initio mol

Decibel 发表于 2025-3-27 08:23:20

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拒绝 发表于 2025-3-27 11:36:30

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Explosive 发表于 2025-3-27 17:00:30

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臆断 发表于 2025-3-27 18:06:17

Deuterium Labeling Studies and Quantum Effects of Radicals in Solids,rature. The high-resolution EPR (ESR) spectra of selectively D-labeled methyl radicals were radiolytically generated together with a hydrogen atom methyl radical pair in an Ar matrix at cryogenic temperatures. The methyl radical spectra are discussed in terms of nuclear spin-rotation couplings using

Negligible 发表于 2025-3-27 22:12:11

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Incorruptible 发表于 2025-3-28 03:29:12

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富足女人 发表于 2025-3-28 09:05:30

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preservative 发表于 2025-3-28 11:39:18

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查看完整版本: Titlebook: EPR of Free Radicals in Solids I; Trends in Methods an Anders Lund,Masaru Shiotani Book 2013Latest edition Springer Science+Business Media