نرم افزار شیمی محاسباتی aim
نرم افزار شیمی محاسباتی aim
AIMAll is a software package for performing quantitative and visual QTAIM (Quantum Theory of Atoms in Molecules) analyses of molecular systems - starting from molecular wavefunction data.
Two of AIMAll's components (AIMExt and AIMInt) are very heavily modified and extended derivatives of two programs (Extreme and ProaimV) from the AIMPAC package that was developed and maintained by members of Richard F.W. Bader's research group.
TAK was fortunate enough to be one of those members from 1991-1993.
Continued interest in QTAIM and its practical implementation eventually led to the development of AIMAll, which has been a spare-time effort for several years.
The initial goal for AIMAll was to make a QTAIM package that was:
Easy to use, essentially automatic
Rigorous
Accurate
Reliable
Robust
Relatively fast and efficient
Able to calculate a rich variety of properties of interest
Able to produce a descriptive consolidation of all important results
کتاب شیمی فیزیک مورتیمر ویرایش سوم
کتاب تخصصی شیمی مهندسی شیمی و نفت و..
کتاب شیمی فیزیک مورتیمر ویرایش سوم
کتاب مایعات یونی خواص شیمی فیزیک
کتاب مایعات یونی خواص شیمی فیزیک
نویسندگان: Zhang و دیگران
این کتاب در کارهای تحقیقاتی با موضوعاتی همچون انواع مایعات یا تاثیر انواع مایعات بسیار مفید و ارزشمند خواهد بود.
فهرست مطالب:.........................ContentsPrefacePart I Ionic LiquidsChapter 1 Database of Ionic Liquids1.1 Introduction1.2 Database of Ionic Liquids1.3 Usage of the DatabasePart II Physicochemical Properties and ApplicationsChapter 2 Imidazolium2.1 1-Alkyl Imidazolium2.2 1,3-Dialkyl Imidazolium2.3 Tri-Alkyl Imidazolium2.4 Tetra-Alkyl Imidazolium2.5 Quinary Alkyl Imidazolium2.6 Double ImidazoliumChapter 3 TriazoliumChapter 4 PyrrolidiniumChapter 5 PiperidiniumChapter 6 PyrrolineChapter 7 PyridiniumChapter 8 IsoquinoliniumChapter 9 ThiazoliumChapter 10 SulfoniumChapter 11 AmmoniumChapter 12 GuanidiniumChapter 13 PhosphoniumChapter 14 Polymeric AmmoniumChapter 15 UroniumChapter 16 SodiumChapter 17 MorpholiniumChapter 18 TetrazoliumChapter 19 OxazolidiniumChapter 20 PiperaziniumChapter 21 PyridaziniumChapter 22 4,4-DimethylimidazoliumChapter 23 Amino AcidsReferencesList of Symbols
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