Chemical Physics Letters

Chemical Physics Letters, Vol.418, No.4-6 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (57 articles)

297 - 301	Theoretical study for (BN)(10) isomers and (BN)(n)C20-2n ring structures Xu SH, Zhang MY, Zhao YY, Chen BG, Zhang J, Sun CC
302 - 306	Theoretical study on characteristics of structure and vibrational frequency of spiro-linked complex Zn(PyIm)(2) (PyIm=2(2'-pyridine)-imidazole) in excited state Kan YH, Yang GC, Yang SY, Zhang M, Lan YQ, Su ZM
307 - 310	A 35-fs time-resolved absorption study of all-trans retinal in a nonpolar solvent: Ultrafast photophysics revisited Ishii K, Takeuchi S, Tahara T
311 - 316	The lowest-lying doublet electronic states of CoC - A theoretical study Borin AC, Gobbo JP, Roos BO
317 - 322	Dynamics of dopant product formation in the nanosecond irradiation of doped PMMA at 248 and 193 nm: Temporal evolution of temperature and viscosity Bounos G, Athanassiou A, Anglos D, Georgiou S
323 - 327	Infrared spectra of the H2O-Kr and H2O-Xe complexes in argon matrices Hirabayashi S, Yamada KMT
328 - 332	Vacuum ultraviolet photo dissociation of SH radical at 121.6 nm Chen SP, Zhou WD, Zhang JS
333 - 336	Computation of precise two-electron correlation energies with imprecise Hartree-Fock orbitals Valeev EF
337 - 341	On the use of theoretical tools in the study of photophysical properties of the new Eu(fod)(3) complex with diphenbipy dos Santos ER, dos Santos MAC, Freire RO, Junior SA, Barreto LS, de Mesquita ME
342 - 346	High pressure small-angle neutron scattering study of the aggregation state of beta-lactoglobulin in water and in water/ethylene-glycol solutions Ortore MG, Spinozzi F, Carsughi F, Mariani P, Bonetti M, Onori G
347 - 350	Relation between absorption and crystallinity of poly(3-hexylthiophene)/fullerene films for plastic solar cells Zhokhavets U, Erb T, Gobsch G, Al-Ibrahim M, Ambacher O
351 - 354	On combining molecular dynamics and stochastic dynamics simulations to compute reaction rates in liquids: Bond fission in HONO in liquid Kr Guo Y, Thompson DL
355 - 358	Photophysical properties of gallium hydroxyl tetratolylporphyrin and 13(2)-demethoxycarbonyl-(gallium hydroxyl)-methyl-pheophorbide alpha Litwinski C, Tannert S, Jesorka A, Katterle M, Roder B
359 - 360	Efficient evaluation of the error vector in the direct inversion in the iterative subspace scheme Khaliullin RZ, Head-Gordon M, Bell AT
361 - 367	On the stability of dense versus cage-shaped water clusters: Quantum-chemical investigations of zero-point energies, free energies, basis-set effects and IR spectra of (H2O)(12) and (H2O)(20) Lenz A, Ojamae L
368 - 372	A density functional study on the effect of the zeolite cavity on its catalytic activity: The dehydrogenation and cracking reactions of isobutane over HZSM-5 and HY zeolites Milas I, Nascimento MAC
373 - 376	Modeling enzymatic processes: A molecular simulation analysis of the origins of regioselectivity Pieraccini S, Sironi M, Colombo G
377 - 382	Multiple pathways in the photodynamics of a polar pi-bond: A case study of silaethylene Zechmann G, Barbatti M, Lischka H, Pittner J, Bonacic-Koutecky V
383 - 385	Reactivity of silicon carbonyl with ethylene Belanzoni P, Giorgi G, Cerofolini GF
386 - 391	Relativistic density-functional study on the dehydrogenation reactivity of PtMCH2+(M = Cu, Ag, Au, Pt) toward NH3 Xia F, Chen J, Cao ZX
392 - 396	Isotropic-nematic transition in liquid crystals confined between rough walls Cheung DL, Schmid F
397 - 401	Photophysics and excited-state proton transfer of 2'-hydroxy-2-trans-styrylquinoline Wang SL, Yeh TW, Ho TI
402 - 407	Vibrational relaxation in ionic liquids and ionic liquid reverse micelles Sando GM, Dahl K, Owrutsky JC
408 - 412	Purification and characterization of double-wall carbon nanotubes synthesized by catalytic chemical vapor deposition on mesoporous silica Ramesh P, Okazaki T, Sugai T, Kimura J, Kishi N, Sato K, Ozeki Y, Shinohara H
413 - 417	Interaction of X-2 (X = F, Cl, and Br) with active sites of graphite Xu YJ, Zhang YF, Li JQ
418 - 422	Dynamic polarizability calculation with fragment molecular orbital scheme Mochizuki Y, Ishikawa T, Tanaka K, Tokiwa H, Nakano T, Tanaka S
423 - 427	Novel spin transition observed in two quasi-one-dimensional spin system based on [M(mnt)2](-) monoanion compounds (M = Ni or Pt; mnt(2-) = maleonitriledithiolate) Ren XM, Nishihara S, Akutagawa T, Noro S, Nakamura T, Fujita W, Awaga K
428 - 432	Periodic Hartree-Fock study of the elasticity of pentaerythritol tetranitrate Brand HV
433 - 436	The atomic-scale studies of the behavior of the crystal dissolution in a molten metal Yu CH, Lin KL
437 - 441	Scalar relativistic correction to nucleus-independent chemical shifts of coinage-metal compounds: How does the pseudopotential approximation perform? Corminboeuf C
442 - 447	Contribution of two-photon and excited state absorption in'axial-bonding' type hybrid porphyrin arrays under resonant electronic excitation Kiran PP, Reddy DR, Dharmadhikari AK, Maiya BG, Kumar GR, Rao DN
448 - 453	Time-resolved Fourier transform infrared emission spectroscopy of H-3(+) molecular ion Civis S, Kubat P, Nishida S, Kawaguchi K
454 - 458	Molecular dynamics of ethylene glycol adsorbed in NaX: NMR and broadband dielectric spectroscopy studies Erdem OF, Michel D
459 - 466	A highly correlated ab initio investigation of the temperature-dependent conformational analysis of cycloheptane Anconi CPA, Nascimento CS, Dos Santos HF, De Almeida WB
467 - 474	Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals Piecuch P, Wloch M, Gour JR, Kinal A
475 - 480	Ab initio quantum chemical investigation of several isomers of anionic Si-6 Takahashi M, Kawazoe Y
481 - 484	Variational path integral simulations using discretized coordinates Hinde RJ
485 - 489	A quasilinear RISM approach for the computation of solvation free energy of ionic species Chuev GN, Chiodo S, Erofeeva SE, Fedorov MV, Russo N, Sicilia E
490 - 495	Interpolation density values on a cartesian grid: Improving the efficiency of Lebedev based numerical integration in Kohn-Sham density functional algorithms Brown ST, Fusti-Molnar L, Kong J
496 - 501	Torsional potential of pi-conjugated molecules using the localized Hartree-Fock Kohn-Sham exchange potential Fabiano E, Della Sala F
502 - 505	GMX approximation for the linear E circle times epsilon Jahn-Teller effect Mancini JD, Fessatidis V, Bowen SP
506 - 510	Pseudocapacitive characteristic of lithium ion storage in hydrogen titanate nanotubes Li JR, Tang ZL, Zhang ZT
511 - 518	Ab initio surface hopping simulation on dissociative recombination of H3O+ Kayanuma M, Taketsugu T, Ishii K
519 - 523	Rate constants of gas-phase reactions of trans-cyc-CF2CF2CHFCHF- and cyc-CF2CF2CH2CHCl- with OH radicals at 253-328 K Chen L, Mizukado J, Kutsuna S, Tokuhashi K, Sekiya A
524 - 529	Diameter-dependent voltammetric properties of carbon nanotubes Hu CG, Zhang YY, Bao G, Zhang YL, Liu ML, Wang ZL
530 - 534	Hydrogen bonding of DNA base pairs and information entropy: From molecular electron density perspective Parthasarathi R, Subramanian V
535 - 539	AFM imaging of wrapped multiwall carbon nanotube in DNA Takahashi H, Numao S, Bandow S, Iijima S
540 - 543	Three-dimensional real-space crystallography of MCM-48 mesoporous silica revealed by scanning transmission electron tomography Yates TJV, Thomas JM, Fernandez JJ, Terasaki O, Ryoo R, Midgley PA
544 - 548	Diffusion and single molecule dynamics on biomolecular interface binding energy landscape Wang J
549 - 554	First-principles study of the stability and electronic properties of sheets and nanotubes of elemental boron Lau KC, Pati R, Pandey R, Pineda AC
555 - 560	The vibronic effects in the excited 1(1)E(u) state of (CO)(4) dianion in terms of time dependent (TD) density functional theory: The resonance and pre-resonance Raman studies Zazakowny P, Makowski M, Pawlikowski MT
561 - 564	Protein transport through gold-coated, charged nanopores: Effects of applied voltage Chun KY, Mafe S, Ramirez P, Stroeve P
565 - 568	Comparison of trigonal B2O3 structures with high and low space-group symmetry Islam MM, Bredow T, Minot C
569 - 575	Theoretical CASPT2 study of the excited state double proton transfer reaction in the 7-azaindole dimer Serrano-Andres L, Merchan M
576 - 580	Phase shift cavity ring down at low temperatures: Vibration-rotation overtone absorption of H-D (Delta v=4) at 297 and 105 K Moehnke CJ, Lewis EK, Lopez-Calvo A, Manzanares CE
581 - 585	QCT calculations for the process N-2(v)+N -> N-2(v')+N in the whole vibrational range Esposito F, Capitelli M
586 - 590	Hydrogen and ethanol sensors based on ZnO nanorods, nanowires and nanotubes Rout CS, Krishna SH, Vivekchand SRC, Govindaraj A, Rao CNR