화학공학소재연구정보센터

Chemical Physics Letters

Chemical Physics Letters, Vol.355, No.3-4 Entire volume, number list
ISSN: 0009-2614 (Print) 

In this Issue (27 articles)

207 - 213 Density functional computational thermochemistry: solving the discrepancy between MO and DFT calculations on the enthalpy of formation of sulfine, CH2=S=O
Ventura ON, Kieninger M, Denis PA, Cachau RE
214 - 218 Resonance-regime behaviour of a Forster-transfer fluorescent dye couple dissolved in a chiral nematic liquid crystal
Chambers M, Voigt M, Grell M
219 - 225 Relativistic effects on magnetic circular dichroism studied by GUHF/SECI method
Honda Y, Hada M, Ehara M, Nakatsuji H, Downing J, Michl J
226 - 232 Production and EPR characterization of exohedrally perfluoroalkylated paramagnetic lanthanum metallofullerenes: (La@C-82)-(C8F17)(2)
Tagmatarchis N, Taninaka A, Shinohara H
233 - 240 Methane activation by naked Ni-0 atom: a theoretical study
Yang HQ, Chen YQ, Hu CW, Gong MC, Hu HR, Tian AM, Wong NB
241 - 248 Observation of formation dynamics of solvated aromatic cation radicals following photoionization
Nakabayashi T, Kamo S, Watanabe K, Sakuragi H, Nishi N
249 - 256 Electron detachment energies of AlAs- and AlAs2-
Archibong EF, St-Amant A
257 - 262 ONIOM-XS: an extension of the ONIOM method for molecular simulation in condensed phase
Kerdcharoen T, Morokuma K
263 - 269 Ensuring N-representability: Coleman's algorithm
Beste A, Runge K, Bartlett R
270 - 278 Excited state interactions in the doubly hydrogen-bonded jet-cooled dimers of 4-aminophthalimide and 4-amino-N-methylphthalimide
Chen Y, Topp MR
279 - 284 Effect of ball milling on morphology of cup-stacked carbon nanotubes
Kim YA, Hayashi T, Fukai Y, Endo M, Yanagisawa T, Dresselhaus MS
285 - 288 An ab initio study of the potential energy surfaces for Na+I-2 system
Feng DC, Kang CM, Qi CS, Cai ZT
289 - 293 STM observation of the dissociation of a chromium tris-diketonato complex on Cu(100)
Grillo SE, Tang H, Coudret C, Gauthier S
294 - 300 Interfacial charge recombination via the triplet state? Mimicry of photoprotection in the photosynthetic process with a dye-sensitized TiO2 solar cell reaction
Weng YX, Li L, Liu Y, Wang L, Yang GZ, Sheng JQ
301 - 305 Electro oxidation of CO on Ru(0001) and RuO2(100) electrode surfaces
Wang WB, Zei MS, Ertl G
306 - 310 An embedding scheme based on quantum linear-scaling methods
Bowler DR, Gillan MJ
311 - 318 Classical trajectory calculations of collision energy dependence of Penning ionization cross-sections for N-2 and CO by He*2(3)S; optimization of anisotropic model potentials
Yamazaki M, Maeda S, Kishimoto N, Ohno K
319 - 326 Dimensionality of proton transfer in the intramolecular hydrogen bond of formimidol
Spirko V, Cejchan A, Lutchyn R, Leszczynski J
327 - 338 The effect of triple excitations in coupled cluster calculations of Raman scattering cross-sections
Pecul M, Coriani S
339 - 346 Stable and metastable mixed crystals in the orientationally disordered state of the [(CH3)(3)CCl]+[(CH3)(2)CCl2] system
Pardo LC, Barrio M, Tamarit JL, Lopez DO, Salud J, Negrier P, Mondieig D
347 - 354 Tuning in on single molecular states: adsorption sites and STM images of maleic anhydride on Si(100)
Hofer WA, Fisher AJ, Bitzer T, Rada T, Richardson NV
355 - 364 Structures of small silver cluster cations (Ag-n(+), n < 12): ion mobility measurements versus density functional and MP2 calculations
Weis P, Bierweiler T, Gilb S, Kappes MM
365 - 370 High charge flexibility of the surface dangling bonds on the Si(111)-7x7 surface and NH3 chemisorption: a DFT study
Lu X, Xu X, Wang NQ, Zhang Q, Lin MC
371 - 377 Photoreaction dynamics of CH3I multilayers on GaAs(110): REMPI probing of the CH3 umbrella mode
Srivastava A, Osgood RM
378 - 382 Coulson function and Hosoya index
Gutman I, Vidovic D, Furtula B
383 - 387 Preparation, characterization and surface modification of Cu metal nanoparticles
Kapoor S, Palit DK, Mukherjee T
388 - 394 Quantum mechanical tunneling in methylamine dehydrogenase (vol 347, pg 512, 2001)
Alhambra C, Sanchez ML, Corchado JC, Gao J, Truhlar DG