实现
发表于 2025-3-28 14:41:16
https://doi.org/10.1007/978-3-642-81642-0urthermore, the [[ ., . 2 ], . 1 ] term absent in the CC2 while present in doubles equation of CCSD can balance this [ ., . 1 ] term and CC2 model augmented with this term is able to afford reasonable results for PbO, SnO and ozone.
CLASP
发表于 2025-3-28 18:58:40
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narcotic
发表于 2025-3-29 00:10:17
State-to-state quantum dynamics of the , reaction, to be dominated by scattering in both forward and backward directions with a forward bias, suggesting that the reaction is not completely statistic and the lifetime of the reaction intermediate is not particularly long.
CLAM
发表于 2025-3-29 06:14:47
Theoretical study on the working mechanism of a reversible light-driven rotary molecular motor, by locating the relevant stationary points along the excitedstate and ground-state reaction paths, the clockwise and anticlockwise rotary cycles are explored in great detail, which is of complementary importance in understanding the overall rotary process of the reversible rotation.
Dappled
发表于 2025-3-29 08:37:21
Analysis of a failure of the CC2 coupled-cluster method for bond lengths of SnO and PbO,urthermore, the [[ ., . 2 ], . 1 ] term absent in the CC2 while present in doubles equation of CCSD can balance this [ ., . 1 ] term and CC2 model augmented with this term is able to afford reasonable results for PbO, SnO and ozone.
单纯
发表于 2025-3-29 13:38:11
Adsorption of water molecules on sodium chloride trimer, favored; water molecules preferentially bind to the Na – Cl edge if the NaCl ion pair has larger partial charges than others. We also found the anionic structures are more various compared with neutral ones, and the Na + and Cl – ions are hydrated more easily in the anionic clusters than in the corresponding neutrals.
吸引力
发表于 2025-3-29 18:14:26
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开花期女
发表于 2025-3-29 21:07:26
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协议
发表于 2025-3-30 03:49:57
Chirurgisches über den Exophthalmus,000 K were calculated for both reactions. Strong mode specifi city was found in both reactions, and the differences were rationalized by the vibrational characteristics of the CH. and SiH. reactants.
AXIS
发表于 2025-3-30 04:18:17
Walther Meyer zur Capellen,Bernd Janssenemisorbed N 2 O, which is envisioned as a key intermediate for further NO reduction. The present study provides a detailed description at the molecular level for the NO/ BaO (100) system, which shed some light on the NO x storage – reduction systems, as well as NO direct decomposition.