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Ab initio quantum chemistry methods
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71	PHYSICAL REVIEW A, VOLUME 63, 0132XX Electronic structure of calcium clusters Jeffrey W. Mirick, Chang-Hong Chien, and Estela Blaisten-Barojas* School of Computational Sciences, George Mason University, Fairfax, Virgini Add to Reading List Source URL: www.bluelaze.com Language: English - Date: 2000-11-10 08:39:36 Atomic physics Ions Molecular physics Chemical properties Ionization energy Crystal Chemical bond Ionization Ab initio quantum chemistry methods Chemistry Physics Quantum chemistry
72	LOWDIN’S REMARKS ON THE AUFBAU PRINCIPLE AND A PHILOSOPHER’S VIEW OF AB INITIO QUANTUM CHEMISTRY Add to Reading List Source URL: www.chem.ucla.edu Language: English - Date: 2003-10-27 15:48:09 Atomic physics Quantum chemistry Computational chemistry Quantum mechanics Ab initio quantum chemistry methods Electron configuration Aufbau principle Hartree–Fock method Atomic orbital Chemistry Physics Theoretical chemistry
73	Summer School on Computational Materials Science Lecture Notes: Ab Initio Molecular Dynamics Simulation Methods in Chemistry Victor S. Batista∗ Yale University, Department of Chemistry, P.O.Box[removed], New Haven, Conne Add to Reading List Source URL: www.chem.yale.edu Language: English - Date: 2014-01-26 09:05:45 Partial differential equations Fourier analysis Uniform polyhedra Equations Schrödinger equation Μ operator Wave packet Fourier transform Truncated dodecahedron Mathematical analysis Physics Quantum mechanics
74	BSSE-Free Description of Intermolecular Force Constants in Hydrogen Fluoride and Water Dimers A. BENDE,1,* M. KNAPP-MOHAMMADY,2 S. SUHAI2 1 Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-06-28 11:14:47 Quantum chemistry Basis set superposition error Møller–Plesset perturbation theory Ab initio quantum chemistry methods Basis set Water dimer Hartree–Fock method PM3 Perturbation theory Chemistry Computational chemistry Theoretical chemistry
75	Nitrogen Substituted Phenothiazine Derivatives: Modelling of Molecular Self-Assembling Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-06-28 10:20:55 Supramolecular chemistry Quantum chemistry Organic chemistry Stacking Hydrogen bond Chemical bond Ab initio quantum chemistry methods Electronic correlation Force field Chemistry Chemical bonding Intermolecular forces
76	Electronic Supplementary Material Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-07-05 07:38:33 Quantum chemistry Density functional theory Computational chemistry Hybrid functional Ab initio quantum chemistry methods Crystal Stacking Gaussian Møller–Plesset perturbation theory Chemistry Chemical bonding Supramolecular chemistry
77	Processes in Isotopes and Molecules Journal of Physics: Conference Series[removed][removed]IOP Publishing doi:[removed][removed] Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-06-28 10:28:17 Intermolecular forces Organic chemistry Stacking Computational chemistry Ab initio quantum chemistry methods Chemical bond Noncovalent bonding Aromaticity Chemistry Chemical bonding Supramolecular chemistry
78	Chemical Physics[removed]–210 Contents lists available at ScienceDirect Chemical Physics journal homepage: www.elsevier.com/locate/chemphys Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-06-28 10:31:52 Computational chemistry Quantum chemistry Chemical bonding Hydrogen bond Ab initio quantum chemistry methods Hybrid functional Density functional theory Electronic correlation Van der Waals force Chemistry Theoretical chemistry Intermolecular forces
79	Ab Initio Study of the Ammonia–Ammonia Dimer: BSSE-Free Structures and Intermolecular Harmonic Vibrational Frequencies ´ . VIBO ´ K,1 G. J. HALA Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-06-28 10:47:05 Quantum chemistry Atomic physics Hartree–Fock method Møller–Plesset perturbation theory Ab initio quantum chemistry methods Basis set superposition error Gaussian Water dimer Electronic correlation Chemistry Computational chemistry Theoretical chemistry
80	J. Phys. Chem. A 2010, 114, 12479–[removed]Molecular Modeling of Phenothiazine Derivatives: Self-Assembling Properties Attila Bende,,† Ion Grosu,‡ and Ioan Turcu† Add to Reading List Source URL: adatbank.transindex.ro Language: English* - Date: 2011-07-05 07:36:10 Supramolecular chemistry Quantum chemistry Computational chemistry Stacking Hydrogen bond Crystal TINKER Ab initio quantum chemistry methods Noncovalent bonding Chemistry Chemical bonding Intermolecular forces

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