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#	Item
1	Microsoft Word - bericht 2007_teil1.doc Add to Reading List Source URL: www.kofo.mpg.de Language: English - Date: 2014-11-10 05:44:33 Ab initio quantum chemistry methods Molecular modelling Semi-empirical quantum chemistry method Coupled cluster MNDO Ab initio Hypervalent molecule Molecular dynamics Density functional theory Chemistry Computational chemistry Theoretical chemistry
2	PDF Document Add to Reading List Source URL: www.kofo.mpg.de Language: English - Date: 2014-11-10 05:44:33 Theoretical chemistry Ab initio quantum chemistry methods Molecular physics MNDO Semi-empirical quantum chemistry method Density functional theory Molecular dynamics Force field NDDO Chemistry Computational chemistry Molecular modelling
3	Theory – W. ThielResearch Area “Ab Initio Methods” (W. Thiel) Add to Reading List Source URL: www.kofo.mpg.de Language: English - Date: 2014-11-10 05:45:58 Coupled cluster Semi-empirical quantum chemistry method Multireference configuration interaction ACES Configuration interaction Crystal Density functional theory Hybrid functional MNDO Chemistry Computational chemistry Ab initio quantum chemistry methods
4	Determination of Diastereoisomers Stability Add to Reading List Source URL: www.bet2-soft.de Language: English - Date: 2008-09-16 07:36:51 MNDO MINDO Mass spectrum Chemistry Mass spectrometry PM3
5	Biomedical Mass Spectrometry Center Application of CSI-DIFF-MS software for identification of the best quantum chemical method for 2-, 3- and 4- nitrobenzophenone molecules and fragmentation ions Nicolae Dinca1, Ioan Opr Add to Reading List Source URL: www.bet2-soft.de Language: English - Date: 2012-05-02 10:48:49 PM3 MINDO Spectroscopy Mass spectrum Austin Model 1 Chemistry Mass spectrometry MNDO
6	 M O P A C 2012 A practical quantum chemistry tool for modeling biological systems and crystals Add to Reading List Source URL: cacheresearch.com Language: English - Date: 2012-08-07 13:57:12 MOPAC Chemical element MNDO SAM1 Chemistry PM3 Austin Model 1
7	User Manual © 2007. Copyright Cepos InSilico Ltd Impressum Add to Reading List Source URL: cacheresearch.com Language: English - Date: 2010-03-08 16:38:08 CEPOS IRIX Politics of Europe Europe MOPAC MNDO PM3
8	EMPIRE™ (Available in Q4, 2012) EMPIRE™ is an entirely new parallel NNDO-based semiempirical molecular orbital (MO) program from Cepos InSilico designed for use on modern multi-core desktop machines or for very large Add to Reading List Source URL: cacheresearch.com Language: English - Date: 2012-08-03 17:31:33 Theoretical chemistry PM3 Hartree–Fock method AM1* MNDO Multi-core processor Molecular orbital Chemistry Quantum chemistry Computational chemistry
9	12 UserManual TM © 2013.Copyri Add to Reading List Source URL: cacheresearch.com Language: English - Date: 2014-08-05 18:18:29 PM3 Adamantane NDDO Hartree–Fock method File MNDO Data file Z-matrix Chemistry Computational chemistry XYZ file format
10	 M O P A C 2009 the next generation quantum chemistry tool for property prediction Add to Reading List Source URL: cacheresearch.com Language: English - Date: 2010-10-21 16:13:14 MOPAC Semi-empirical quantum chemistry method MNDO Chemical element Gaussian Ab initio quantum chemistry methods Crystal SAM1 AMPAC Chemistry PM3 Austin Model 1

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