http://www.informaworld.com/smpp/title~content=t713395160~db=all informaworld: articles recently published in Molecular Physics Taylor & Francis Articles recently published in Molecular Physics RSS feed of the most recently published articles of Molecular Physics 2009-11-02 undefined Molecular Physics 0026-8976 weekly 1 2009-11-02T00:00+00:00 Stability of the columnar and smectic phases of length-bidisperse parallel hard cylinders http://www.informaworld.com/smpp/content~content=a916706879~db=all~jumptype=rss Vesely, Franz J. Mederos, Luis Velasco, Enrique Varga, Szabolcs 99999 1 1 12 A parallelised quantum-classical approach to the molecular dynamics of allene ( ) radical cation http://www.informaworld.com/smpp/content~content=a916265451~db=all~jumptype=rss Adhikari, Satrajit Paul, Amit Kumar Sardar, Subhankar 99999 1 1 13 Multi-channel curve crossing problems: analytically solvable model http://www.informaworld.com/smpp/content~content=a916265774~db=all~jumptype=rss Chakraborty, Aniruddha 99999 1 1 7 Towards a first principles prediction of p K a : COSMO-RS and the cluster-continuum approach http://www.informaworld.com/smpp/content~content=a915797629~db=all~jumptype=rss Klamt, Andreas Diedenhofen, Michael Eckert, Frank 99999 1 1 13 A self-consistent density-functional approach to the structure of electric double layer: charge-asymmetric electrolytes http://www.informaworld.com/smpp/content~content=a908496522~db=all~jumptype=rss Ghosh, Swapan K. Patra, Chandra N. Goel, Teena Mukherjee, Tulsi 107 1 19 25 A theoretical study of the dehydration of tertiary butanol in near-critical and supercritical water http://www.informaworld.com/smpp/content~content=a908437188~db=all~jumptype=rss Masters, A. J. Halstead, S. J. 107 1 27 35 Helium-induced halfwidths and line shifts of water vapor transitions of the ν 1 + ν 2 and ν 2 + ν 3 bands http://www.informaworld.com/smpp/content~content=a909043810~db=all~jumptype=rss Starikov, V. I. Solodov, A. M. 107 1 43 51 An insight into the thermostability of a pair of xylanases: the role of hydrogen bonds http://www.informaworld.com/smpp/content~content=a909043085~db=all~jumptype=rss Degrève, Léo Vieira, Davi Serradella 107 1 59 69 Structures and stabilities of P 5 Mg n P 5 ( n = 1-3) compounds containing P 5 ligands. Theoretical investigation http://www.informaworld.com/smpp/content~content=a910205187~db=all~jumptype=rss Xiong, Jieming Li, Wei Qi, Chuansong Wu, Xinmin Gong, Liangfa Guo, Wenli 107 3 197 204 Distribution functions of a heteronuclear hard dumbbell at a hard wall. Pure fluid and mixtures with hard spheres http://www.informaworld.com/smpp/content~content=a910210561~db=all~jumptype=rss Boublık, Tomáš 107 3 205 211 Quantitative analysis of Fermi resonances by harmonic derivatives of perturbation theory corrections http://www.informaworld.com/smpp/content~content=a909229017~db=all~jumptype=rss Stanton, John F. Matthews, Devin A. 107 3 213 222 Experimental and density functional studies on 4-(4-cyanobenzylideneamino)antipyrine http://www.informaworld.com/smpp/content~content=a910204965~db=all~jumptype=rss Wang, Xin Lu, Lu-De Wei, Wen-Xian Yu, Zong-Xue Hao, Qing-Li Sun, Yu-Xi 107 3 223 235 IR spectroscopy of CH 2 CBrF adsorbed on TiO 2 and quantum-mechanical studies http://www.informaworld.com/smpp/content~content=a909236673~db=all~jumptype=rss Giorgianni, Santi Charmet, Andrea Pietropolli Stoppa, Paolo Scaranto, Jessica 107 3 237 244 Effect of magnetic fields on out-of-plane orientations of nematic liquid crystalline polymers under simple shear flow http://www.informaworld.com/smpp/content~content=a909233544~db=all~jumptype=rss Chono, Shigeomi Tsuji, Tomohiro Fu, Shufang 107 3 245 252 Experimental (UV, NMR, IR and Raman) and theoretical spectroscopic properties of 2-chloro-6-methylaniline http://www.informaworld.com/smpp/content~content=a910504109~db=all~jumptype=rss Çoruh, Ali Çınar, Mehmet Kurt, Mustafa Karabacak, Mehmet 107 3 253 264 A unified description of sum frequency generation, parametric down conversion and two-photon fluorescence http://www.informaworld.com/smpp/content~content=a910508158~db=all~jumptype=rss Roslyak, Oleksiy Mukamel, Shaul 107 3 265 280 The Hausdorff chirality measure and a proposed Hausdorff structure measure http://www.informaworld.com/smpp/content~content=a910505676~db=all~jumptype=rss Low, Robert Neal, Maureen P. Yewande, Emmanuel O. 107 3 281 291 Micelle catalyzed oxidation of propan-2-ol to acetone by penta-valent vanadium in aqueous acid media http://www.informaworld.com/smpp/content~content=a911417187~db=all~jumptype=rss Saha, Bidyut Paul, Kalyan K. Basu, Ankita Ghosh, Sumanta K. 107 7 615 619 EPR and optical spectra of Ni 2+ -V Ag in silver chloride and silver bromide http://www.informaworld.com/smpp/content~content=a911417515~db=all~jumptype=rss Li, Hui-Fang Kuang, Xiao-Yu Wang, Huai-Qian 107 7 621 627 Evaluation of nuclear quadrupole interactions as a source of magnetic anisotropy in the radical pair model of the avian magnetic compass http://www.informaworld.com/smpp/content~content=a911416125~db=all~jumptype=rss Hore, P. J. Efimova, Olga 107 7 665 671 Molecular dynamics simulation studies of cryoprotective agent solutions: the relation between melting temperature and the ratio of hydrogen bonding acceptor to donor number http://www.informaworld.com/smpp/content~content=a911417334~db=all~jumptype=rss Chen, Cong Li, Weizhong Song, Yongchen Yang, Jian 107 7 673 684 Structures and electron affinities of BrO 2 F 2 and BrO 2 F 3 http://www.informaworld.com/smpp/content~content=a911416344~db=all~jumptype=rss Guo, Wenli Xiong, Jieming Qi, Chuansong Gong, Liangfa Wu, Xinmin Li, Wei 107 7 701 709 Mean field and the confined single homopolymer http://www.informaworld.com/smpp/content~content=a910058894~db=all~jumptype=rss Pasquali, S. Percus, J. K. 107 13 1303 1312 Force-field dependence of the conformational properties of α,ω-dimethoxypolyethylene glycol http://www.informaworld.com/smpp/content~content=a911054506~db=all~jumptype=rss van Gunsteren, Wilfred F. de Vries, Alex H. Winger, Moritz 107 13 1313 1321 Relative stability and optical nonlinearity of multiple conformers of 1,1'-substituted ferrocenes http://www.informaworld.com/smpp/content~content=a912392969~db=all~jumptype=rss Wu, Kechen Zhao, Xia Zhou, Jun Zi, Junqin Mang, Chaoyong Liu, Caiping 107 13 1323 1329 Vector correlations of the reaction O( 1 D) + H 2 on the DK potential energy surface http://www.informaworld.com/smpp/content~content=a912392541~db=all~jumptype=rss Li, Ya-Min 107 13 1331 1337 Application of h -adaptive, high order finite element method to solve radial Schrödinger equation http://www.informaworld.com/smpp/content~content=a912391886~db=all~jumptype=rss Romanowski, Zbigniew 107 13 1339 1348 Water-like structure with repulsive double-core interactions http://www.informaworld.com/smpp/content~content=a912392506~db=all~jumptype=rss Perera, Aurélien Rispe, Arnaud Zoranić, Larisa Mazighi, Redha Sokolić, Franjo 107 13 1349 1353 Cavity ring down absorption at low temperatures: C-H spectra (Δυ = 1-6) of CH 3 D and C-H overtones (Δυ = 5, 6) of CH 2 D 2 and CH 4 http://www.informaworld.com/smpp/content~content=a912391416~db=all~jumptype=rss Manzanares, Carlos E. Hernandez, Antonio J. Salazar, Mary C. Moehnke, Craig J. Lewis, Ernest K. Perez-Delgado, Yasnahir 107 13 1367 1377 Poisson-Boltzmann for oppositely charged bodies: an explicit derivation http://www.informaworld.com/smpp/content~content=a912392315~db=all~jumptype=rss Victor, Jean-Marc Barbi, Maria Paillusson, Fabien 107 13 1379 1391 The equivalent dipole potential of water for the electronic structure of threonine http://www.informaworld.com/smpp/content~content=a912392645~db=all~jumptype=rss Gao, Yang Shen, Xiaohong Zheng, Haoping 107 13 1393 1405 Corrigendum http://www.informaworld.com/smpp/content~content=a912392164~db=all~jumptype=rss Hodošček, M. Lesar, A. 107 13 1407 1407 Theoretical study of the Ru + CH 3 F reaction http://www.informaworld.com/smpp/content~content=a912563533~db=all~jumptype=rss Colmenares, Fernando 107 15 1513 1519 Theoretical study of the electronic properties of peroxohexaniobate, [H 3 Nb 6 O 13 (O 2 ) 6 ] 5- , by DFT http://www.informaworld.com/smpp/content~content=a913155902~db=all~jumptype=rss Wang, En-Bo Si, Yan-Ling 107 15 1521 1526 Electron paramagnetic resonance spectral studies on natural sapphire http://www.informaworld.com/smpp/content~content=a913156075~db=all~jumptype=rss Frost, R. L. Reddy, N. C. G. Reddy, K. N. M. Reddy, S. Lakshmi Endo, Tamio 107 15 1537 1539 Ab initio potential energy surface and intermolecular vibrational frequency of C 3 -He complex http://www.informaworld.com/smpp/content~content=a912563429~db=all~jumptype=rss Chen, Dezhan Sun, Chuanzhi Zang, Dianfeng Zhang, Guiqiu 107 15 1541 1547 EPR of Cu 2+ -doped tris-sarcosine calcium chloride http://www.informaworld.com/smpp/content~content=a913156141~db=all~jumptype=rss Govind, Har Yadav, M. P. Kripal, Ram 107 15 1555 1562 Effect of the frequency of intramolecular motions on the NMR relaxation in liquid state temperature regime http://www.informaworld.com/smpp/content~content=a913156372~db=all~jumptype=rss Gdaniec, Z. Latanowicz, L. 107 15 1563 1576 Reference measurements of hydrogen's dielectric permittivity http://www.informaworld.com/smpp/content~content=a913155777~db=all~jumptype=rss Schmidt, James W. Moldover, Michael R. May, Eric F. 107 15 1577 1585 Insights into the Maillard reaction. The mechanism of Schiff's base formation from the reaction force perspective http://www.informaworld.com/smpp/content~content=a913156195~db=all~jumptype=rss Toro-Labbé, Alejandro Silva, Eduardo Gutiérrez-Oliva, Soledad Flores-Morales, Patricio 107 15 1587 1596 Prediction of the vapor pressure of some halogenated methyl-phenyl ether (anisole) compounds using linear and nonlinear QSPR methods http://www.informaworld.com/smpp/content~content=a913156268~db=all~jumptype=rss Goodarzi, Mohammad Goudarzi, Nasser 107 15 1615 1620 Dipole polarizabilities and hyperpolarizabilities of the small conjugated systems in the π-electron coupled cluster theory http://www.informaworld.com/smpp/content~content=a912894258~db=all~jumptype=rss Adamowicz, Ludwik Ivanov, Vladimir V. Klimenko, Tatyana A. 107 17 1729 1737 QSPR models for prediction of half wave potentials of some chlorinated organic compounds using SR-PLS and GA-PLS methods http://www.informaworld.com/smpp/content~content=a913752359~db=all~jumptype=rss Nekooei, M. Hosseini, M. Mohammad Goodarzi, Mohammad Goudarzi, Nasser 107 17 1739 1744 A test of magnetic field effects on an electron-transfer system: adiabatic or not? http://www.informaworld.com/smpp/content~content=a913751844~db=all~jumptype=rss Rosseinsky, David R. Quillin, Keith C. 107 17 1773 1776 Feature selection method based on fuzzy entropy for regression in QSAR studies http://www.informaworld.com/smpp/content~content=a912895284~db=all~jumptype=rss Goudarzi, Nasser Goodarzi, Mohammad Faez, Karim Elmi, Zahra 107 17 1787 1798 Formation of an iron oxide bond in iron carboxylate complexes: a density functional theory study http://www.informaworld.com/smpp/content~content=a913751908~db=all~jumptype=rss López, Gustavo E. López-Cruz, Alejandro 107 17 1799 1804 A DFT study of carbon monoxide adsorption on a Si 4 nano-cluster http://www.informaworld.com/smpp/content~content=a912910280~db=all~jumptype=rss Gobal, Fereydoon Nahali, Masoud 107 17 1805 1810 Spectroscopy and dissociation of sulfuryl halides SO 2 X 2 (X=F, Cl) http://www.informaworld.com/smpp/content~content=a913752472~db=all~jumptype=rss Kumar Das, Abhijit Mondal, Bhaskar Ghosh, Deepanwita 107 17 1811 1816 An essentially exact many body calculation for muonic molecular ions and exotic coulombic systems http://www.informaworld.com/smpp/content~content=a913751879~db=all~jumptype=rss Das, Tapan Kumar Chakrabarti, Barnali 107 17 1817 1821 Microwave dielectric response of binary mixture of N,N-dimethylformamide with propylene glycol using TDR method http://www.informaworld.com/smpp/content~content=a912902994~db=all~jumptype=rss Bhanarkar, M. K. Navarkhele, V. V. 107 17 1823 1830