欢乐中国
发表于 2025-3-28 17:28:21
Teruki Honmary, three indices and a comprehensive bibliography, as well as an extensive collection of maps, chronological tables and photographs. .978-1-4614-6232-3978-1-4419-6633-9Series ISSN 1568-2722 Series E-ISSN 2730-6984
Hearten
发表于 2025-3-28 21:00:02
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精致
发表于 2025-3-28 23:56:51
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Confess
发表于 2025-3-29 04:31:10
https://doi.org/10.1007/978-981-15-9235-5Fragment molecular orbital; FMO; Parallel computation; Interaction analyses; Structure based drug design
TIGER
发表于 2025-3-29 10:27:26
978-981-15-9237-9Springer Nature Singapore Pte Ltd. 2021
innovation
发表于 2025-3-29 13:41:29
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性行为放纵者
发表于 2025-3-29 19:31:01
Comparison of Various Fragmentation Methods for Quantum Chemical Calculations of Large Molecular Sysficient order-. quantum chemical calculations of large (bio)molecular systems. After briefly illustrating the features of various fragmentation methods, their . and . are discussed from the viewpoints of cost, accuracy, viability, and versatility.
向宇宙
发表于 2025-3-29 20:24:56
The ABINIT-MP Programunique features such as a variety of efficient correlated methods and hybrid parallelism. Additionally, an associated graphical user interface (named as BioStation Viewer) has been provided for end-users. In this chapter, we summarize the current features of the ABINIT-MP program. Plans and activities of future developments are addressed as well.
营养
发表于 2025-3-30 02:23:11
Recent Development of the Fragment Molecular Orbital Method in GAMESSThe development of the fragment molecular orbital (FMO) method in GAMESS is reviewed, summarizing implemented physical properties and computational methods. Algorithmic improvements of FMO to reduce memory requirements and to describe dipole moments in solution are also presented.
promote
发表于 2025-3-30 08:05:40
Yuji Mochizuki,Shigenori Tanaka,Kaori FukuzawaCompiles a number of realistic and illustrative applications with color figures.Covers industrial activities of pharmaceutical companies.Addresses extensions of FMO to future computational environment