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Ab Initio
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151	“Anomalous Long Lifetime of Carbon-14”   Solve the puzzle of the long but useful lifetime of 14C   Determine the microscopic origin of the suppressed β-decay rate Add to Reading List Source URL: www.unedf.org Language: English - Date: 2011-05-20 23:28:47 Neutron Nucleon Ab initio quantum chemistry methods Radioactive decay Third normal form Jaguar Computing Matter Chemistry Baryons Hadrons
152 $Multiple isomorphous replacement / Phase problem / Wavelength / Molecular replacement / Diffraction / Single wavelength anomalous dispersion / Crystallography / Physics / Chemistry$	Phasing of macromolecules MAD phasing Almost all routine small-molecule structure are solved, usually in a few seconds, by the omnipotent ab initio direct methods. For Add to Reading List Source URL: shelx.uni-ac.gwdg.de Language: English - Date: 2013-02-25 13:25:44 Multiple isomorphous replacement Phase problem Wavelength Molecular replacement Diffraction Single wavelength anomalous dispersion Crystallography Physics Chemistry
153	Microsoft Word - Approved CC courses _30.6.2014_.docx Add to Reading List Source URL: dgca.nic.in Language: English - Date: 2014-07-21 10:44:41 Airbus A320 family Aviation Ab initio Boeing 737 SpiceJet
154	SHELX_WSP_MONTREAL14_USON.ppt Add to Reading List Source URL: shelx.uni-ac.gwdg.de Language: English - Date: 2014-09-04 09:43:42 Giuseppe Arcimboldo Cyclodextrin Molecular replacement Ab initio quantum chemistry methods Chemistry Crystallography Supramolecular chemistry
155	Microsoft Word - Approved CC courses _30.6.2014_.docx Add to Reading List Source URL: www.dgca.nic.in Language: English - Date: 2014-07-21 10:44:41 Airbus A320 family Aviation Ab initio Boeing 737 SpiceJet
156	Journal of Nuclear Materials–90 www.elsevier.com/locate/jnucmat Ab initio formation energies of Fe–Cr alloys P. Olsson Add to Reading List Source URL: www.neutron.kth.se Language: English Condensed matter physics Quantum phases Building materials Magnetic ordering Ferromagnetism Crystal structure Iron Paramagnetism Steel Chemistry Physics Materials science
157	PQS Ab Initio Program Package version 4.0 USER’S GUIDE © Parallel Quantum Solutions 2011 Add to Reading List Source URL: www.pqs-chem.com Language: English - Date: 2011-03-28 16:23:31 Theoretical chemistry PQS Z-matrix Gaussian Basis set Hartree–Fock method Standard streams Tee Chemistry Computational chemistry Quantum chemistry
158	Retour d’expérience sur BlueGene : CERFACS, EDF, CEA • Saturne (CFD RANS) --> 1024 proc • Zephyr (Burgers 2D) --> 1024 proc • Dymoka (Dynamique Moléculaire) --> 1024 proc • VASP (ab initio DFT) --> 32 proc Add to Reading List Source URL: www.irisa.fr Language: French - Date: 2006-07-04 06:06:25
159	INPUT DESCRIPTION FOR SQM version 2.0 INTRODUCTION SQM is an add-on module for the PQS program which scales force constants to produce a Scaled Quantum Mechanical (SQM) Force Field. This can correct for deficiencies in t Add to Reading List Source URL: www.pqs-chem.com Language: English - Date: 2011-03-28 16:05:54 Spectroscopy Molecular modelling Theoretical chemistry Molecular vibration Z-matrix Molecule Scaling Molecular geometry Ab initio quantum chemistry methods Chemistry Science Computational chemistry
160	Microsoft Word - F-BRIDGE - D142 - revision 0 - Ab initio modelling of molecular actinide compounds - validated.doc Add to Reading List Source URL: www.f-bridge.eu Language: English - Date: 2013-04-23 06:25:16 Atomic physics Molecular physics Theoretical chemistry Computational chemistry Ionization energy MOLCAS Actinide Multi-configurational self-consistent field Molecular orbital Chemistry Physics Quantum chemistry

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