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Theoretical chemistry
Results: 969

#	Item
821	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
822	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
823	J. Phys. B: At. Mol. Opt. Phys[removed]L495–L503. Printed in the UK PII: S0953[removed]LETTER TO THE EDITOR Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2007-01-11 06:59:21 Atomic physics Chemical bonding Computational chemistry Theoretical chemistry Configuration interaction Atomic orbital Electronic correlation Open shell Electron configuration Chemistry Physics Quantum chemistry
824	Physics Letters A[removed]–450 www.elsevier.com/locate/pla The effect of target representation in positron-impact ionization of molecular hydrogen R.I. Campeanu a , V. Chis b , L. Nagy b,∗ , A.D. Stauffer a Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2007-01-11 06:37:15 Atomic physics Molecular physics Computational chemistry Theoretical chemistry Molecular orbital Atomic orbital Ionization Basis set Electron Chemistry Physics Quantum chemistry
825	Theoretical Study of Hydrogen Bonds Between Acetylene and Selected Proton Donor Systems ´ . VIBO ´ K,2 G. J. HALA ´ SZ,3 S. SUHAI4 Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-06-28 10:46:39 Quantum chemistry Møller–Plesset perturbation theory Hartree–Fock method Basis set superposition error MP2 MPEG-1 Audio Layer II Molecular orbital Gaussian Perturbation theory Chemistry Computational chemistry Theoretical chemistry
826	INSTITUTE OF PHYSICS PUBLISHING JOURNAL OF PHYSICS B: ATOMIC, MOLECULAR AND OPTICAL PHYSICS J. Phys. B: At. Mol. Opt. Phys[removed]–150 Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2007-01-11 06:55:51 Quantum chemistry Molecular physics Chemical bonding Theoretical chemistry Electron configuration Atomic orbital Electron Auger effect Ionization Chemistry Physics Atomic physics
827	BSSE-Corrected Geometry and Harmonic and Anharmonic Vibrational Frequencies of Formamide–Water and Formamide–Formamide Dimers A. BENDE,1,2 S. SUHAI2 1 Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-06-28 10:46:16 Theoretical chemistry Chemical bonding Basis set superposition error Intermolecular forces Ab initio quantum chemistry methods Crystal Møller–Plesset perturbation theory Water dimer Hydrogen bond Chemistry Quantum chemistry Computational chemistry
828	Copyright © 2006 American Scientiﬁc Publishers All rights reserved Printed in the United States of America Journal of Computational and Theoretical Nanoscience Add to Reading List Source URL: lmi.bwh.harvard.edu Language: English - Date: 2007-11-28 13:12:51 Particle Computational science Science Computational fluid dynamics Computational physics Statistical mechanics Computational chemistry Molecular dynamics Molecular modelling
829	Library – New E-Books January 2014 #1 8th Congress on Electronic Structure: Principles and Applications (ESPA[removed]electronic resource] : A Conference Selection from Theoretical Chemistry Accounts / edited by Juan J. Add to Reading List Source URL: www.eui.eu Language: English - Date: 2014-03-26 20:21:10 Publishing Springer Science+Business Media Springer Palgrave Macmillan
830	Theoretical background and data on the ways of practical realization are presented, related to the problem of detection of dangerous organic objects (explosives, drugs, etc.) in the presence of other organic substances w Add to Reading List Source URL: www.modern-medical-science.site88.net Language: English - Date: 2013-02-01 19:59:35 Particle detectors Space telescopes Photochemistry Scintillator Plasma physics X-ray telescopes Zinc selenide X-ray INTEGRAL Chemistry Optical materials Physics

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