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Computational chemistry
Results: 1931

#	Item
451	Article pubs.acs.org/JPCA Alternative Approach to Chemical Accuracy: A Neural NetworksBased First-Principles Method for Heat of Formation of Molecules Made of H, C, N, O, F, S, and Cl Jian Sun,,† Jiang Wu,† Tao Song Add to Reading List Source URL: yangtze.hku.hk Language: English* - Date: 2015-04-21 18:39:08 Bond-dissociation energy Theoretical chemistry Computational chemistry Hybrid functional
452	JCP The Journal of Chemical Physics is proud to be celebrating its 80th year as the leading and most cited journal in chemical physics. The Journal has been at the forefront of the field since its inception inThe Add to Reading List Source URL: scitation.aip.org Language: English - Date: 2013-09-03 16:10:41 Crystal ACES ReaxFF Rutherford Aris bibliography Science Chemistry Computational chemistry
453	Newsletter to CAMO Software AS shareholders Q1 2012 Last known share price = NOK 0.30 per share st CAMO AS and CAMO Software AS were merged as per 1 of January 2011, and are now trading as ‘CAMO Software AS’. Add to Reading List Source URL: www.camo.com Language: English - Date: 2012-06-13 04:34:55 Spectroscopy The Unscrambler Financial economics Earnings before interest taxes depreciation and amortization Profit margin Gross profit Q1 Business Generally Accepted Accounting Principles Finance Computational chemistry
454	Computational Crystallography Newsletter  JULY MMX Add to Reading List Source URL: www.phenix-online.org Language: English - Date: 2010-07-14 17:56:28 Coot Crystallography GTK+ Conformational isomerism Chemistry Science Stereochemistry
455	Chemical Physics Letters–321 www.elsevier.com/locate/cplett Linear regression correction to ﬁrst principle theoretical calculations – Improved descriptors and enlarged training set Xue-Mei Duan a, Zh Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:07 Theoretical chemistry Chemical bonding Computational chemistry Atomic physics Hybrid functional Density functional theory Electronic correlation Basis set Resonance Chemistry Physics Quantum chemistry
456	GE Fanuc Automation PRESS RELEASE GE Fanuc and CAMO Software Host Seminars Around the World “PAT: Driving Operational Excellence” Add to Reading List Source URL: www.camo.com Language: English - Date: 2008-03-13 19:10:00 Computational chemistry Albemarle County Virginia GE Intelligent Platforms Industrial robotics FANUC The Unscrambler Process analytical technology Chemometrics GE Industrial Technology Science Chemistry
457	Copyright © 2006 American Scientiﬁc Publishers All rights reserved Printed in the United States of America Journal of Computational and Theoretical Nanoscience Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:06 Density functional theory Computational chemistry Computational physics Quantum chemistry Theoretical chemistry Hybrid functional Hartree–Fock method Time-dependent density functional theory Crystal Chemistry Physics Quantum mechanics
458	Microsoft PowerPoint - PPT [相容模式] Add to Reading List Source URL: www.hkimls.org Language: English - Date: 2014-04-12 09:12:05 Knowledge Bioinformatics Computational chemistry Statistics Deviation Mean
459	COMMUNICABLE DISEASE CONTROL BRANCH - Please immediately bring to the attention of all doctors Date: 10 September 2014 Contact telephone number: hours/7 days) Add to Reading List Source URL: www.safkiml.com.au Language: English - Date: 2014-10-27 01:00:42 Organic chemistry Computational chemistry GlaxoSmithKline Guanidines Zanamivir Oseltamivir Influenza Antiviral drug Flu pandemic Acetamides Neuraminidase inhibitors Chemistry
460	JOURNAL OF CHEMICAL PHYSICS VOLUME 121, NUMBEROCTOBER 2004 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:06 Computational chemistry Quantum chemistry Atomic physics Density functional theory Hybrid functional Hartree–Fock method Basis set Ab initio quantum chemistry methods Electronic correlation Chemistry Physics Theoretical chemistry

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