Limerick
发表于 2025-3-23 12:53:19
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Immortal
发表于 2025-3-23 17:55:39
https://doi.org/10.1007/978-94-009-8472-1Isomer; chemistry; molecule; organic chemistry; photochemistry; reactions; theoretical chemistry
繁殖
发表于 2025-3-23 18:34:28
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opinionated
发表于 2025-3-24 01:29:49
Nato Science Series C:http://image.papertrans.cn/c/image/233190.jpg
蜡烛
发表于 2025-3-24 05:36:37
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北极熊
发表于 2025-3-24 07:07:42
Single- and Multi-Configuration Self Consistent Field Methods,sistent field theory(SCF). Today one can routinely perform SCF calculations on stable closed shell systems and many open shell systems where the wavefunction is well represented by a single configuration of electrons distributed among a set of MO.
VICT
发表于 2025-3-24 11:46:42
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反复无常
发表于 2025-3-24 17:01:45
A Numerical Approach for Finding Stationary Points and for Computing Force Constant Matrices: The Eder to locate a stationary point. Further they let us enable to perform the vibrational and the thermodyna-mical analysis..As all the available programs and methods are not implemented for performing those computations we propose here a purely numerical approach.
conscience
发表于 2025-3-24 19:53:47
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STEER
发表于 2025-3-25 00:07:48
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