Generic-Drug 发表于 2025-3-30 10:04:54

http://reply.papertrans.cn/48/4756/475524/475524_51.png

谆谆教诲 发表于 2025-3-30 14:19:01

,Singlet–triplet separations of di-radicals treated by the DEA/DIP-EOM-CCSD methods,e become test systems for the applications of various multi-reference (MR) coupled-cluster methods. We report results close to the basis set limit computed with double ionization potential (DIP) and double electron attachment (DEA) equation-of-motion coupled-cluster methods. These diradicals share t

LATHE 发表于 2025-3-30 17:39:11

http://reply.papertrans.cn/48/4756/475524/475524_53.png

accomplishment 发表于 2025-3-30 21:34:38

Anchoring the potential energy surface for the , reaction,l energy surface for the Br + H.O → HBr + OH reaction, including the entrance complex, transition state, and exit complex, have been studied using the CCSD(T) method with correlation-consistent basis sets up to cc-pV5Z-PP. Contrary to the valence isoelectronic F + H2O system, the Br + H.O reaction i

强制令 发表于 2025-3-31 02:21:46

http://reply.papertrans.cn/48/4756/475524/475524_55.png

Generalize 发表于 2025-3-31 07:56:26

Why edge inversion? Theoretical characterization of the bonding in the transition states for invershrough a T-shaped transition state (edge inversion) rather than the D.-like transition states (vertex inversion) found in the corresponding nitrogen compounds and less fluorinated phosphorus compounds. Subsequent studies by Dixon and coworkers established that this is a general phenomenon and has im

永久 发表于 2025-3-31 09:32:28

A comparison of singlet and triplet states for one- and two-dimensional graphene nanoribbons using purpose, highlevel ab initio calculations have been performed using the multireference averaged quadratic coupled cluster theory and the COLUMBUS program package. A reference space consisting of restricted and complete active spaces is taken for the π-conjugated space, correlating 16 electrons with

acclimate 发表于 2025-3-31 13:42:18

Jacek Karwowski,Henryk A. Witekof research based on the database created by the Michigan Educational Assessment Program, the result of a careful research effort of Michigan schools by researchers such as Wilbur Brookover, Larry Lezotte, and the late Ron Edmonds (See Lezotte, 1989). Termed the “effective schools research,” these a

词汇记忆方法 发表于 2025-3-31 20:28:36

Rei Matsuzaki,Shigeko Asai,C. William McCurdy,Satoshi Yabushitam. The interest in performance assessment represents nothing less than a grass-roots rebellion against an assessment system that has made little sense to most of its users. The advocacy for performance assessment extends well beyond its usefulness as an improved source of educational information. Pe

prolate 发表于 2025-4-1 00:39:14

http://reply.papertrans.cn/48/4756/475524/475524_60.png
页: 1 2 3 4 5 [6] 7
查看完整版本: Titlebook: Isaiah Shavitt; A Memorial Festschri Ron Shepard,Russell M. Pitzer,Thom Dunning Book 2016 Springer-Verlag Berlin Heidelberg 2016 Isaiah Sha