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日期:2024-07-14
The sample below demonstrates how using extended basis sets is accomplished for several atoms. The general procedure used is: 1. Solve the atomic LDF equations for the neutral molecule. This provides a minimal basis set. 2. Compute the spin energy from a ...
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日期:2024-07-19
Sometimes I get interesting questions that don't quite fit into any of the existing topics already discussed within the blog and my obsessive/compulsive nature tells me that getting this questions in a random part/page/post of the blog doesn't look quite ...
Dienekes’ Anthropology Blog: Ancient Clovis genome from Montana yields no surprises (Rasmussen et al
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日期:2024-07-18
barakobama said... A lot of the theories about the first Americans being African, European, near eastern, etc. were based on racism. I guarantee you that most of the people supporting the theory the first Americans were African are African, that the first...
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Character table for d4h point group. ... Character table for D4h point group. E, 2C
4 (z), C2, 2C'2, 2C''2, i, 2S4, σh, 2σv, 2σd, linears, rotations, quadratic. A1g, 1, 1 ......
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日期:2024-07-21
D4h. E, 2 C4, C2, 2 C2', 2 C2'', σh, 2σv, 2σd, 2 S4, i. Pt. Cl. Cl. Cl. Cl. 2 C4. C2'.
C2'' σh σv σd. C2. The D4h Character Table. Let's look at a different molecule ......
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日期:2024-07-14
Character table for the symmetry point group D4h as used in quantum chemistry
and spectroscopy....
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日期:2024-07-15
1 Irreducible representation and character tables . ... D4h character table . ..... in a
molecule with D4h symmetry and similarly operations on the the px and py....