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Ab Initio
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#	Item
121	1064 Goldschmidt Conference Abstracts Formation of a layered FeIII (hydr)oxide intercalated with Add to Reading List Source URL: goldschmidt.info Language: English - Date: 2011-09-22 13:35:03 Molecular modelling Actinide Periodic table Ab initio quantum chemistry methods Hydroxide Density functional theory Molecular dynamics Oxide Chemistry Computational chemistry Theoretical chemistry
122	PHYSICAL REVIEW B 81, 104108 共2010兲 Ab initio study of compressed Ar(H2)2: Structural stability and anomalous melting Claudio Cazorla1,* and Daniel Errandonea2 1Department Add to Reading List Source URL: www.claudiocazorla.com Language: English - Date: 2010-03-18 03:58:44 Metallic hydrogen Covalent bond H2 Chemistry Allotropy Crystal
123	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
124	Photon Factory Activity Report 2006 #24 Part BChemistry 4B2/2004G054 Ab Initio Structure Determination of the colorless form of Thymolphthalein dye Add to Reading List Source URL: pfwww.kek.jp Language: English - Date: 2010-01-05 10:34:17 Science Crystallography Powder diffraction Rietveld refinement Lactone Hydrogen bond Molecular model Chemistry Diffraction Physics
125	HAIZ AUYUB DURGA v NAJMUNNISA ISMAEL DURGAZ.RH.C.) HIGH COURT W.M. MUZYAMBA, J. 14TH JULY, HP/D 28) Flynote Add to Reading List Source URL: www.zambialii.org Language: English - Date: 2015-02-04 11:00:12 Private law Conflict of laws Catholic marriage Kinship and descent Conflict of nullity laws Annulment Consummation Ab initio Conflict of marriage laws Law Family law Legal terms
126	Goldschmidt 2000 September 3rd–8th, 2000 Oxford, UK. Journal of Conference Abstracts Volume 5(2), 138 Add to Reading List Source URL: www.the-conference.com Language: English - Date: 2009-11-05 06:12:03 Theoretical chemistry Mineral Chemistry Computational chemistry Ab initio quantum chemistry methods
127	Dalton Transactions View Article Online PAPER Add to Reading List Source URL: www.claudiocazorla.com Language: English - Date: 2013-03-06 12:48:07 Density functional theory Crystal Ab initio quantum chemistry methods Møller–Plesset perturbation theory Design for testing Hybrid functional Dalton Chemistry Theoretical chemistry Computational chemistry
128	Photon Factory Activity Report 2008 #26 Part BChemistry 4B2/2007G699 Dehydration Processes of Lisinopril investigated by Ab Initio Crystal Structure Add to Reading List Source URL: pfwww.kek.jp Language: English - Date: 2010-01-05 10:35:58 Hydrogen bond Hydrate Lisinopril Properties of water Chemistry Diffraction Powder diffraction
129	RICE UNIVERSITY Linear Scaling Density Functional Theory with Gaussian Orbitals and Periodic Boundary Conditions by Add to Reading List Source URL: scuseria.rice.edu Language: English - Date: 2006-05-03 17:46:09 Quantum chemistry Atomic physics Crystal Numerical analysis Gaussian Density functional theory Ab initio quantum chemistry methods Basis set Fast multipole method Chemistry Theoretical chemistry Computational chemistry
130	Photon Factory Activity Report 2010 #28 Part BChemistry 4B2/2009G658 Metastable polymorphic form of isopropylbenzophenone derivative directly obtained by the solid-state photoreaction investigated by ab initio po Add to Reading List Source URL: pfwww.kek.jp Language: English - Date: 2012-01-30 04:32:43 Powder diffraction Hydrogen bond X-ray crystallography Crystal CrystEngComm Hydrogen Chemistry Physics Diffraction