MOPAC 2009

  MOPAC是世界上最广泛使用的半经验量化程序，用于研究气体，溶液和固体的化学特性，包括Gibbs自由能，活化能，反应路径，偶极矩，非线性光学特性以及红外光谱，等。它还可以用做为结构-特性（或活性）定量的基础，预测生物学及其它特性，包括致癌性，蒸汽压，水溶解性，反应率等。MOPAC中获取专利的MOZYME算法可以使那些在超级计算机上需要几天或者几周的计算，在 PC机上仅需要几分钟。对于包含上千原子的体系，诸如蛋白质，聚合物，半导体和晶体，它们的电子特性计算仅仅需要几分钟或几小时。

  此外，MOPAC还包含用于光谱计算的半经验分子轨道程序MOS-F模块（目前版本是5.0）。MOPAC和MOS-F本身并不包含图形用户界面，但可以和CAChe，LinMOPAC，WinMOPAC，HyperChem或CS Chem3D等图形用户界面的程序结合使用。

Installation instructions for WINDOWS

If you have an Academic license, and it has expired, then:

1. Delete the old license file.  It's called either "Password for MOPAC2007" or "Password for MOPAC2009"

2. re-install the license using the new license key.

If you are a first-time user of MOPAC2009, then:

1.  Download the appropriate executable, unzip it, then make sure your
     emailed password is available.

2.  Create a folder called "MOPAC" under "C:\Program Files"
     (i.e. create "C:\Program Files\MOPAC") If you don't want to
    use this location, then set the location using an Environmental Variable,
    see below.

3.  Put "MOPAC2009.exe" in the new folder  "C:\Program Files\MOPAC"  

4.  Using Notepad (or MS Word), create a new ".txt" file

5.  Name the file the same as your password (sent to you by email), i.e. if the
     password is 1234a5678 then name the file "1234a5678.txt", then Save it.

6.  Change the suffix of this file from "txt" to "mop"

7.  Place this file in the same folder as the MOPAC2009.exe

8.  Right-button click on this new (password.mop) file

9.  Select "Open with | Choose a program"

10. Then click "Browse..." and navigate to
      "C:\Program Files\MOPAC\MOPAC2009.exe"

11. Select "MOPAC2009.exe" then click "Open"

12. Read the license agreement

13. If you agree, click the Return (Enter) key, then type the word "yes" and
      click return again.

14. Click the "Yes" button on the dialog box to complete the process.

15. You are now ready to run MOPAC2009

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