(A Novel Visual Basic Software for Projection Operator Calculations in Chemistry PDF |
| Abedel Hafith Mohammed Sa'aydeh |
| Supervisor(s) |
| Dr. Mohammd Najeeb Asaad - أ.د. حكمت هلال |
| Discussion Commity |
| -Dr. Mohammad N. Ass’ad (Supervisor -Prof. Hikmat S. Hilal CoSupervisor) -Dr. Mohammed Awad (External Examiner) -Dr. Luai Malhis (Internal Examiner) |
| 122 صفحة |
| Abstract : |
Abstract In this work, we constructed a new Visual Basic 2005 program to solve mathematical equations (wave functions). These equations can be found by using so-called "Projection Operator Method". This method is used to construct σ- and π-SALCs for chemical molecules belonging to well known point group. For each point group a manual solution is discussed and shown. We then develop software that gives a computerized solution for each point group, which takes an incomparable time with a manual solution. The outputs of the software completely matched the manual solutions; which shows credibility of our software. The methodology followed in software construction is also shown here. |
Wednesday, February 3, 2010
(A Novel Visual Basic Software for Projection Operator Calculations in Chemistry h
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