macabre
发表于 2025-3-28 18:11:38
Electro-Nuclear Quantum Mechanics Beyond the Born-Oppenheimer Approximation. Towards a Quantum Elects nuclear configurations. The set of continuous and discrete symmetries, these latter related to a stationary nuclear configuration whenever it is the case, lay down the framework to bracket a Hilbert space describing the system. While the expectation value of the molecular hamiltonian (including th
dura-mater
发表于 2025-3-28 21:47:31
Modeling of the Reaction of Azathioprine with the Hydroxide Anionttack on the azathioprine molecule. DFT and ab-initio approaches have been applied to model the reaction of azathioprine with a simple nucleophile i.e. hydroxide anion. Quantum mechanical methods allowed to propose a detailed mechanism for the reaction of isolated molecule of azathioprine with hydro
小丑
发表于 2025-3-29 00:19:38
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渐变
发表于 2025-3-29 06:18:54
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hankering
发表于 2025-3-29 09:49:28
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背信
发表于 2025-3-29 11:53:27
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Monolithic
发表于 2025-3-29 16:45:45
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Deadpan
发表于 2025-3-29 21:53:21
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PANEL
发表于 2025-3-30 00:54:04
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indecipherable
发表于 2025-3-30 07:21:29
1567-7354 ystems in Chemistry and Physics, held in Granada (Spain), April 19–22, 1998. Ninety-nine scientists from Bulgaria, Columbia, Cuba, Denmark, Finland, France, Germany, Hungary, Israel, Italy, Mexico, Netherlands, Norway, Poland, Russia, Slovakia, Spain, Sweden, United Ki- dom, Uruguay and Venezuela at