Chemical Physics Letters

Density functional computational thermochemistry: solving the discrepancy between MO and DFT calculations on the enthalpy of formation of sulfine, CH₂&unknown;S&unknown;O
pp. 207-213(7)
Authors: Ventura O.N.; Kieninger M.; Denis P.A.; Cachau R.E.

Resonance-regime behaviour of a Forster-transfer fluorescent dye couple dissolved in a chiral nematic liquid crystal
pp. 214-218(5)
Authors: Chambers M.; Voigt M.; Grell M.

Relativistic effects on magnetic circular dichroism studied by GUHF/SECI method
pp. 219-225(7)
Authors: Honda Y.; Hada M.; Ehara M.; Nakatsuji H.; Downing J.; Michl J.

Production and EPR characterization of exohedrally perfluoroalkylated paramagnetic lanthanum metallofullerenes: (La@C₈₂)-(C₈F₁₇)₂
pp. 226-232(7)
Authors: Tagmatarchis N.; Taninaka A.; Shinohara H.

Methane activation by naked Ni⁰ atom: a theoretical study
pp. 233-240(8)
Authors: Yang H.-Q.; Chen Y.-Q.; Hu C.-W.; Gong M.-C.; Hu H.-R.; Tian A.-M.; Wong N.-B.

Observation of formation dynamics of solvated aromatic cation radicals following photoionization
pp. 241-248(8)
Authors: Nakabayashi T.; Kamo S.; Watanabe K.; Sakuragi H.; Nishi N.

Electron detachment energies of AlAs^- and AlAs₂^-
pp. 249-256(8)
Authors: Archibong E.F.; St-Amant A.

ONIOM-XS: an extension of the ONIOM method for molecular simulation in condensed phase
pp. 257-262(6)
Authors: Kerdcharoen T.; Morokuma K.

Ensuring N-representability: Coleman's algorithm
pp. 263-269(7)
Authors: Beste A.; Runge K.; Bartlett R.

Excited state interactions in the doubly hydrogen-bonded jet-cooled dimers of 4-aminophthalimide and 4-amino-N-methylphthalimide
pp. 270-278(9)
Authors: Chen Y.; Topp M.R.

Effect of ball milling on morphology of cup-stacked carbon nanotubes
pp. 279-284(6)
Authors: Kim Y.A.; Hayashi T.; Fukai Y.; Endo M.; Yanagisawa T.; Dresselhaus M.S.

An ab initio study of the potential energy surfaces for Na+I₂ system
pp. 285-288(4)
Authors: Feng D.; Kang C.; Qi C.; Cai Z.

STM observation of the dissociation of a chromium tris-diketonato complex on Cu(100)
pp. 289-293(5)
Authors: Grillo S.E.; Tang H.; Coudret C.; Gauthier S.

Interfacial charge recombination via the triplet state? Mimicry of photoprotection in the photosynthetic process with a dye-sensitized TiO₂ solar cell reaction
pp. 294-300(7)
Authors: Weng Y.-X.; Li L.; Liu Y.; Wang L.; Yang G.-Z.; Sheng J.-Q.

Electrooxidation of CO on Ru(0001) and RuO₂(100) electrode surfaces
pp. 301-305(5)
Authors: Wang W.B.; Zei M.S.; Ertl G.

An embedding scheme based on quantum linear-scaling methods
pp. 306-310(5)
Authors: Bowler D.R.; Gillan M.J.

Classical trajectory calculations of collision energy dependence of Penning ionization cross-sections for N₂ and CO by He^*2³S; optimization of anisotropic model potentials
pp. 311-318(8)
Authors: Yamazaki M.; Maeda S.; Kishimoto N.; Ohno K.

Dimensionality of proton transfer in the intramolecular hydrogen bond of formimidol
pp. 319-326(8)
Authors: Spirko V.; Cejchan A.; Lutchyn R.; Leszczynski J.

The effect of triple excitations in coupled cluster calculations of Raman scattering cross-sections
pp. 327-338(12)
Authors: Pecul M.; Coriani S.

Stable and metastable mixed crystals in the orientationally disordered state of the [(CH₃)₃CCl]+[(CH₃)₂CCl₂] system
pp. 339-346(8)
Authors: Pardo L.C.; Barrio M.; Tamarit J.L.; Lopez D.O.; Salud J.; Negrier P.; Mondieig D.

Tuning in on single molecular states: adsorption sites and STM images of maleic anhydride on Si(100)
pp. 347-354(8)
Authors: Hofer W.A.; Fisher A.J.; Bitzer T.; Rada T.; Richardson N.V.

Structures of small silver cluster cations (Ag_n⁺, n<12): ion mobility measurements versus density functional and MP2 calculations
pp. 355-364(10)
Authors: Weis P.; Bierweiler T.; Gilb S.; Kappes M.M.

High charge flexibility of the surface dangling bonds on the Si(111)-7x7 surface and NH₃ chemisorption: a DFT study
pp. 365-370(6)
Authors: Lu X.; Xu X.; Wang N.; Zhang Q.; Lin M.C.

Photoreaction dynamics of CH₃I multilayers on GaAs(110): REMPI probing of the CH₃ umbrella mode
pp. 371-377(7)
Authors: Srivastava A.; Osgood R.M.

Coulson function and Hosoya index
pp. 378-382(5)
Authors: Gutman I.; Vidovic D.; Furtula B.

Preparation, characterization and surface modification of Cu metal nanoparticles
pp. 383-387(5)
Authors: Kapoor S.; Palit D.K.; Mukherjee T.

Erratum to: ''Quantum mechanical tunneling in methylamine dehydrogenase'' [Chem. Phys. Lett. 347 (2001) 512-518]
pp. 388-394(7)
Authors: Alhambra C.; Luz Sanchez M.; Corchado J.C.; Gao J.; Truhlar D.G.