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Molecular Physics An International Journal at the Interface Between Chemistry and Physics

Advert: Molecular Physics Longuet-Higgins Young Author's Prize - http://www.tandf.co.uk/journals/authors/tmph_authors_prize.asp
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2008 Impact Factor: 1.478 (©2009 Thomson Reuters, Journal Citation Reports®)
ISSN: 1362-3028 (electronic) 0026-8976 (paper)
Publication Frequency: 24 issues per year
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Research Article
Assessing the accuracy of many-body expansions for the computation of solvatochromic shifts
R. A. Mata
First Published on: 28 January 2010
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Franck–Condon profiles in photodetachment-photoelectron spectra of TMPH_A_452581_O_XML_IMAGES\TMPH_A_452581_O_ILM0001.gif and TMPH_A_452581_O_XML_IMAGES\TMPH_A_452581_O_ILM0002.gif based on vibrational configuration interaction wavefunctions
Joonsuk Huh;  Michael Neff;  Guntram Rauhut; Robert Berger
First Published on: 27 January 2010
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Analysis of highly excited ‘hot’ bands in the SO2 molecule: ν2 + 3ν3 - ν2 and 2ν1 + ν2 + ν3 - ν2
O. N. Ulenikov;  E. S. Bekhtereva;  O. V. Gromova;  S. Alanko;  V. -M. Horneman; C. Leroy
First Published on: 27 January 2010
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Phase equilibria of polyaromatic hydrocarbons by hybrid Monte Carlo Wang–Landau simulations
C. Desgranges;  J. M. Hicks;  A. Magness; J. Delhommelle
First Published on: 22 January 2010
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Original Articles
Lifetimes of rovibrational levels of the long-range I′ 1Πg state of H2 and D2: Experiment and theory
Stephen C. Ross;  Jun Ando; Koichi Tsukiyama
First Published on: 22 January 2010
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Nonlinear optical and structural properties of M@C N endohedrals (M = Li, Ca and Sc, N = 60 and 70)
Mojtaba Yaghobi; Ardavan Koohi
First Published on: 22 January 2010
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Determination of the vinyl fluoride line intensities by TDL spectroscopy: the object oriented approach of Visual Line Shape Fitting Program to line profile analysis
Nicola Tasinato;  Andrea Pietropolli Charmet;  Paolo Stoppa; Santi Giorgianni
First Published on: 20 January 2010
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Research Article
Quantum-chemical simulation of solid-state NMR spectra: the example of a molecular tweezer host–guest complex
Jan Zienau;  Jörg Kussmann; Christian Ochsenfeld
First Published on: 20 January 2010
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Pseudopotential for ground state hydrogen molecule with nonadiabatic corrections
Matti Selg
First Published on: 20 January 2010
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Original Articles
Open-shell explicitly correlated F12 methods
David P. Tew; Wim Klopper
First Published on: 13 January 2010
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Research Article
Coupled cluster singles and doubles polarisation propagator accurate through the third order of Møller–Plesset theory
Tatiana Korona
First Published on: 13 January 2010
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Original Articles
The Ornstein–Zernike equation in molecular electronic structure theory
David Case; Frederick R. Manby
First Published on: 13 January 2010
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Research Article
The polarisation of two-photon excited fluorescence in rotating molecules
Peter S. Shternin;  Karl-Heinz Gericke; Oleg S. Vasyutinskii
First Published on: 13 January 2010
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Random phase approximation correlation energies with exact Kohn–Sham exchange
Andreas Heßelmann; Andreas Görling
First Published on: 13 January 2010
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Invited Article
Accurate level energies in the EF1TMPH_A_441513_O_XML_IMAGES\TMPH_A_441513_O_ILM0001.gif, GK1TMPH_A_441513_O_XML_IMAGES\TMPH_A_441513_O_ILM0002.gif, H1TMPH_A_441513_O_XML_IMAGES\TMPH_A_441513_O_ILM0003.gif, B1TMPH_A_441513_O_XML_IMAGES\TMPH_A_441513_O_ILM0004.gif, TMPH_A_441513_O_XML_IMAGES\TMPH_A_441513_O_ILM0005.gif, B′1TMPH_A_441513_O_XML_IMAGES\TMPH_A_441513_O_ILM0006.gif, TMPH_A_441513_O_XML_IMAGES\TMPH_A_441513_O_ILM0007.gif, TMPH_A_441513_O_XML_IMAGES\TMPH_A_441513_O_ILM0008.gif, J1Δg states of H2
D. Bailly;  E. J. Salumbides;  M. Vervloet; W. Ubachs
First Published on: 05 January 2010
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Original Articles
Quantum-chemical calculation of Born–Oppenheimer breakdown parameters to rotational constants
Jürgen Gauss; Cristina Puzzarini
First Published on: 18 December 2009
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Research Article
Assessment of free energy expressions in RISM integral equation theory: theoretical prediction of partition coefficients revisited
Seiichiro Ten-no;  Jaewoon Jung;  Hiroshi Chuman; Yukio Kawashima
First Published on: 15 December 2009
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Original Articles
The ribosome catalyzes peptide bond formation by providing high ionic strength
Johannes Kästner; Paul Sherwood
First Published on: 15 December 2009
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OGOLEM: Global cluster structure optimisation for arbitrary mixtures of flexible molecules. A multiscaling, object-oriented approach
Johannes M. Dieterich; Bernd Hartke
First Published on: 15 December 2009
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Research Article
Accurate correlated calculation of the intermolecular potential surface in the coronene dimer
Tomasz Janowski;  Alan R. Ford; Peter Pulay
First Published on: 14 December 2009
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Vibrational energy transfer in Ar–O3 collisions: comparison of rotational sudden, breathing sphere, and classical calculations
M. V. Ivanov; R. Schinke
First Published on: 14 December 2009
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Invited Article
Towards a first principles prediction of pKa: COSMO-RS and the cluster-continuum approach
Frank Eckert;  Michael Diedenhofen; Andreas Klamt
First Published on: 12 October 2009
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Can incremental expansions cope with high-order coupled-cluster contributions?
Hermann Stoll
First Published on: 30 September 2009
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Analytical stress tensor and pressure calculations with the CRYSTAL code
K. Doll
First Published on: 24 August 2009
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