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Ab Initio
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#	Item
161	Ab initio modeling of optoelectronic properties of semiconductors for photovoltaics J. Vidal1,2,4, L.M. Huang1, C. Domain1, P. Olsson1, J.F. Guillemoles1, M. Gatti2,4, S. Botti2,3,4 and L. Reining2,4 1 Add to Reading List Source URL: www.quantsol.org Language: English* - Date: 2010-05-11 12:45:48 Electronic band structure Density functional theory Semiconductor Ab initio quantum chemistry methods Band gap ACES Quantum chemistry Chemistry Theoretical chemistry Computational chemistry
162	PQS Ab Initio Program Package version 3.3 User’s Manual c Parallel Quantum Solutions, 2007 Add to Reading List Source URL: www.pqs-chem.com Language: English - Date: 2011-08-24 17:42:18 Computational chemistry Gaussian Basis set Mathematical optimization Nuclear magnetic resonance Hybrid functional Algorithm Chemistry Science PQS
163	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
164	High-level Ab Initio Studies of Hydrogen Abstraction from Prototype Hydrocarbon Systems Berhane Temelso,a C. David Sherrill,a∗ Ralph C. Merkle,b∗ and Robert A. Freitas Jr.c∗ a Add to Reading List Source URL: www.molecularassembler.com Language: English - Date: 2007-01-03 01:12:34 Ethynyl radical Transition state theory Activation energy Hydrogen bond Reaction rate Catalysis Hydrogen Chemistry Physical chemistry Chemical kinetics
165	Audit Checklist - Ab-initio Training Organisations Name of the Institute Scope of Approval Address of the Institute Telephone: Fax : Add to Reading List Source URL: dgca.nic.in Language: English - Date: 2012-05-09 02:16:06 Aircraft flight control system Hydraulic fluid Fire extinguisher Turbocharger Technology Control engineering Safety
166	March[removed]Statement to Higher Education Institutions Requiring TOEFL, IELTS or CEFR equivalency of International Baccalaureate Diploma and Diploma Course Students To whom it may concern Add to Reading List Source URL: www.ibo.org Language: English - Date: 2014-09-09 06:29:36 Ab initio TOEFL IELTS Suzhou Singapore International School IB Group 2 subjects Education International Baccalaureate IB Diploma Programme
167	May 12, 2015 Track: The Informatica Platform & Architecture 10::15 30 minutes Add to Reading List Source URL: www.informaticaworld.com Language: English - Date: 2015-04-17 15:16:04 Informatica Teradata Big data Ab Initio Data management Technology Information technology management
168	Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology 1236 Ab initio Studies on Exchange Interactions in Metals and Correlated Oxides Add to Reading List Source URL: uu.diva-portal.org Language: English - Date: 2015-03-23 02:51:55 Phase transitions Spintronics Quantum chemistry Magnet Spin wave Heat-assisted magnetic recording Spin Curie temperature Exchange interaction Physics Electromagnetism Magnetic ordering
169	Rock „n Roll over Central California Emile Niu One of my favorite classic movies is a 1970 feature “Tora! Tora! Tora! One scene depicted an ab-initio student “Jimmy” cruising over Oahu, Hawaii with an instructor Add to Reading List Source URL: aviationclub.hk Language: English - Date: 2011-05-20 05:38:20 Aerobatics Air sports Spin Aerobatic maneuver Lomcevak Barrel roll Slip Competition aerobatics PARE Flight Motion Aerodynamics
170	Submitted to Journal of Chemical Theory and Computation rR Fo An Effective Hamiltonian Molecular Orbital©¤Valence Bond (MOVB) Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:07 Chemical bonding Theoretical chemistry Molecular physics Ab initio quantum chemistry methods Valence bond theory Localized molecular orbitals Chemical bond Resonance Multi-configurational self-consistent field Chemistry Quantum chemistry Computational chemistry

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