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Ab Initio
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301	Spectra of water dimer from a new ab initio potential with flexible monomers Claude Leforestier, Krzysztof Szalewicz, and Ad van der Avoird Citation: J. Chem. Phys. 137, [removed]); doi: [removed] View online: Add to Reading List Source URL: www.theochem.ru.nl Language: English - Date: 2012-07-30 08:29:23 Intermolecular forces Quantum mechanics Quantum chemistry Dimer Water dimer Monomer Hydrogen bond Adiabatic theorem Potential energy Chemistry Physics Chemical bonding
302	THE JOURNAL OF CHEMICAL PHYSICS 134, [removed]Rovibrational states of the H2 O–H2 complex: An ab initio calculation Ad van der Avoird1,a) and David J. Nesbitt2 1 Add to Reading List Source URL: www.theochem.ru.nl Language: English - Date: 2011-01-29 15:32:45 Rotational symmetry Physical chemistry Partial differential equations Physical quantities Cluster chemistry Water dimer Spherical harmonics Symbol Angular momentum Physics Mathematical analysis Chemistry
303	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
304	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
305	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
306	Ab initio density functional theory study of CF2HCl and its isotopic species Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-06-28 11:13:01 Density functional theory Hybrid functional Isotopic labeling Dipole Crystal Chemistry Physics Spectroscopy
307	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
308	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
309	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
310	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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