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Theoretical chemistry
Results: 969

#	Item
871	Substrate dependent reaction channels of the Wolff–Kishner reduction reaction: A theoretical study Shinichi Yamabe, Guixiang Zeng, Wei Guan and Shigeyoshi Sakaki Add to Reading List Source URL: www.ncbi.nlm.nih.gov Language: English* Wolff–Kishner reduction Hydrazone Ketone Hydrazine Aldehyde Azine Carbanion Carbonyl Acetone Chemistry Organic chemistry Functional groups
872	An Introduction to Theoretical Chemistry, Second Edition Jack Simons* Chemistry Department Add to Reading List Source URL: simons.hec.utah.edu Language: English - Date: 2011-05-26 10:58:29 Theoretical chemistry Quantum chemistry Computational chemistry Chemist Molecular orbital theory Molecular orbital Molecular dynamics Quantum mechanics Hartree–Fock method Chemistry Science Physics
873	Transition Metals and the Aufbau Principle L. G. Vanquickenborne, K. Pierloot, and D. Devoghel Add to Reading List Source URL: depa.fquim.unam.mx Language: English - Date: 2014-01-27 14:50:35 Quantum chemistry Chemical bonding Theoretical chemistry Molecular physics Electron configuration Atomic orbital Valence electron Aufbau principle Hartree–Fock method Chemistry Physics Atomic physics
874	The ChemSep Book Second Edition Add to Reading List Source URL: www.chemsep.com Language: English - Date: 2010-01-20 19:39:12 Unit operations Laboratory techniques Separation processes Theoretical plate Reactive distillation Reflux Packed bed Mass transfer Non-equilibrium thermodynamics Chemistry Distillation Chemical engineering
875	DATASHEET DMol3 Add to Reading List Source URL: accelrys.com Language: English - Date: 2011-08-30 15:56:15 Theoretical chemistry Density functional theory Computational chemistry Quantum chemistry Materials Studio Electronic band structure Molecular orbital Chemistry Science Crystal
876	M.H.N Assadi and D.A.H Hanaor, Journal of Applied Physics, 2013,113(23), [removed]Theoretical study on copper’s energetics and magnetism in TiO2 Add to Reading List Source URL: arxiv.org Language: English - Date: 2013-08-25 20:00:55 Oxides Ultraviolet radiation Doping Semiconductor device fabrication Dopant Anatase Semiconductor Band gap N-type semiconductor Chemistry Condensed matter physics Matter
877	18 May[removed]Chemical Physics Letters[removed]±432 Add to Reading List Source URL: www.chem.wayne.edu Language: English - Date: 2001-05-18 11:03:37 Quantum chemistry Molecular physics Chemical properties Quadratic configuration interaction Ab initio quantum chemistry methods Energy level Chemistry Theoretical chemistry Computational chemistry
878	Condensed Matter Physics 2006, Vol. 9, No 1(45), pp. 151–159 Method of intermediate problems in the theory of Add to Reading List Source URL: users.i.kiev.ua Language: English - Date: 2011-03-27 19:35:40 Operator theory Quantum mechanics Quantum chemistry Computational chemistry Theoretical chemistry Eigenvalues and eigenvectors Hamiltonian Self-adjoint operator Variational method Physics Algebra Chemistry
879	Alan Turing - 20th century British mathematician, credited with creating the theoretical framework and design for the earliest modern computer. His conceptual design was dubbed the “Turing machine”. He also lead the British cryptanalysis Add to Reading List Source URL: www.noglstp.org Language: English - Date: 2009-10-13 00:24:48 Gender Interpersonal relationships Interpersonal chemistry Love Gay Homosexuality LGBT social movements Alexander von Humboldt Alan Turing Human sexuality Human behavior Sexual orientation
880	R O B E R T S . M U L L I K E N* Spectroscopy, molecular orbitals, Add to Reading List Source URL: www.nobelprize.org Language: English - Date: 2006-05-31 16:47:04 Atomic physics Chemical bonding Theoretical chemistry Molecular physics Molecular orbital Atomic orbital Electron configuration Chemical bond Hartree–Fock method Chemistry Physics Quantum chemistry

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