PM3

Results: 106



#Item
101MNDO / Computer file / File / Chmod / Ls / Find / Computing / MOPAC / PM3

MOPAC Molecular Orbital Calculations on Diatomics To run a molecular orbital calculation for a diatomic on a Windows or Mac system, use a text editor like Word, SimpleText, or Notepad to create the input file. An example

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Source URL: www.colby.edu

Language: English - Date: 2014-03-28 16:18:34
102Proton NMR / Chemistry / Phenyl group / PM3

Staudinger ligation towards cyclodextrin dimers in aqueous/organic media. Synthesis, conformations and guest-encapsulation ability

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Source URL: www.ncbi.nlm.nih.gov

Language: English
103GAMESS / Fragment molecular orbital / MNDO / PM3 / MPQC / Electronic correlation / Multi-configurational self-consistent field / Chemistry / Computational chemistry / Science

Introduction 1-1

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Source URL: www.msg.ameslab.gov

Language: English - Date: 2013-05-30 17:29:43
104GAMESS / Fragment molecular orbital / MNDO / PM3 / MPQC / Electronic correlation / Multi-configurational self-consistent field / Chemistry / Computational chemistry / Science

PDF Document

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Source URL: www.msg.chem.iastate.edu

Language: English - Date: 2013-05-30 17:29:43
105Quantum chemistry / MOPAC / MNDO / Semi-empirical quantum chemistry method / PM3 / Gaussian / Basis set / Electronic band structure / Molecular orbital / Chemistry / Theoretical chemistry / Computational chemistry

PDF Document

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Source URL: cc-ipcp.icp.ac.ru

Language: English - Date: 2001-04-12 08:51:14
106MOPAC / Semi-empirical quantum chemistry method / MNDO / Chemical element / Ab initio quantum chemistry methods / SAM1 / AM1* / Chemistry / PM3 / Austin Model 1

Microsoft Word - MOPAC2009 brochure draft1.doc

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Source URL: openmopac.net

Language: English - Date: 2008-11-02 19:39:36
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