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

:: برچسب‌ها: شیمی محاسباتی , نرم افزار , شیمی فیزیک , aim ,
:: بازدید از این مطلب : 34

|

امتیاز مطلب : 0

|

تعداد امتیازدهندگان : 0

|

مجموع امتیاز : 0