inferno
发表于 2025-3-25 06:59:14
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精致
发表于 2025-3-25 07:39:31
QM/MM Approaches for the Modeling of Photoinduced Processes in Biological Systems,apter, an overview of the extension of these methods to photoinduced processes in biological systems will be presented and discussed. The attention will be focused on the strategies which can be used to properly describe the static and dynamic effects that the environment exerts on the electronic st
ALT
发表于 2025-3-25 11:51:05
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remission
发表于 2025-3-25 17:24:07
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daredevil
发表于 2025-3-25 23:27:29
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muster
发表于 2025-3-26 01:57:12
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梯田
发表于 2025-3-26 06:42:47
Computational Spectroscopy in Solution: Methods and Models for Investigating Complex Systems, organic dyes are presented and discussed. First, a brief analysis of the physical basis of solvent effects on the electronic transitions is reported, in order to introduce the most important phenomena and quantities tuning the so-called solvatochromic shifts. This is followed by a general discussio
护身符
发表于 2025-3-26 09:02:29
M. I. Bernal-Uruchurtu,A. Alcaraz Torres,F. A. Batista Romero,R. Hernández-Lamoneda to use ID cards or health-insurance cards with digital identities for citizen tasks or voting? What about using SIM cards? Can we employ biometrics for identi?978-3-540-77492-1978-3-540-77493-8Series ISSN 0302-9743 Series E-ISSN 1611-3349
GENUS
发表于 2025-3-26 16:19:22
Addressing the Issues of Non-isotropy and Non-additivity in the Development of Quantum Chemistry-Grles of APMM validations by QC, which relate to interactions taking place in the recognition sites of kinases and metalloproteins. We conclude by mentioning prospects of extensive applications of APMM.
Dignant
发表于 2025-3-26 17:07:35
Proton Transfer in Aqueous Solution: Exploring the Boundaries of Adaptive QM/MM, set of MM atoms, an adaptive method employs multiple QM/MM partitions, to describe the fractional QM character. We distinguish two classes of adaptive methods: Discontinuous and continuous. The former methods use at most two QM/MM partitions, and cannot completely avoid discontinuities in the energ