Chemical Physics Letters

Chemical Physics Letters, Vol.454, No.1-3 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (25 articles)

1 - 6	Accurate ab initio electronic structure calculations of the stable helium complex: HeBeO Takayanagi T, Motegi H, Taketsugu Y, Taketsugu T
7 - 11	Accurate Kr-CO interaction potential energy surface with vibrational coordinate dependence Wang ZQ, Gong MG, Zhang Y, Feng EY, Cui ZF
12 - 16	Energy of the quasi-free electron in low density Ar and Kr: Extension of the local Wigner-Seitz model Shi XB, Li LX, Moriarty GM, Evans CM, Findley GL
17 - 23	Photodetachment and UV-Vis spectral properties of Cl-2(center dot)-center dot nH(2)O clusters: Extrapolation to bulk Pathak AK, Mukherjee T, Maity DK
24 - 29	On the multireference character of S-nitrosothiols: A theoretical study of HSNO Timerghazin QK, English AM, Peslherbe GH
30 - 35	Gas phase adiabatic electron affinities of cyclopenta-fused polycyclic aromatic hydrocarbons Todorov PD, Koper C, van Lenthe JH, Jenneskens LW
36 - 41	Estimation of the first excitation energy in diradicaloid croconate dyes having absorption in the near infra red (NIR): A DFT and SF-TDDFT study Thomas A, Srinivas K, Prabhakar C, Bhanuprakash K, Rao VJ
42 - 48	Raman spectroscopic study on isomers of photochromic 1,2-bis(2,5-dimethy1-3-thienyl) perfluorocyclopentene in crystal and stability of the closed-ring forms in the open-ring forms Saita K, Kobatake S, Fukaminato T, Nanbu S, Irie M, Sekiya H
49 - 55	Liquid structure of ethyl lactate, pure and water mixed, as seen by dielectric spectroscopy, solvatochromic and thermophysical studies Aparicio S, Halajian S, Alcalde R, Garcia B, Leal JM
56 - 60	Orientational order of solutes in liquid crystals: The effect of distributed electric quadrupoles Lee JSJ, Sokolovskii RO, Berardi R, Zannoni C, Burnell EE
61 - 64	Time evolution of the v(2) IR absorption of (o-H-2)(n): H2O clusters (n=11-1), and increase of H2O rotation, in O-2 doped solid hydrogen at 4.2 K Abouaf-Marguin L, Vasserot AM, Pardanaud C, Stienlet J, Michaut X
65 - 69	One-electron quantum capping potential for hybrid QM/MM studies of silicate molecules and solids Jardillier N, Goursot A
70 - 74	Large two photon absorption cross section of asymmetric Zn(II) porphyrin complexes substituted in the meso or beta pyrrolic position by -C C-C6H4X moieties (X = NMe2, NO2) Collini E, Mazzucato S, Zerbetto M, Ferrante C, Bozio R, Pizzotti M, Tessore F, Ugo R
75 - 79	NiO nanotubes assembled in pores of porous anodic alumina and their optical absorption properties Shi CS, Wang GQ, Zhao NQ, Du XW, Li JJ
80 - 84	Temperature gradient formation across a nematic hybrid-oriented film Zakharov AV, Vakulenko AA
85 - 90	Fluorescence quenching/enhancement surface assays: Signal manipulation using silver-coated gold nanoparticles Matveeva EG, Shtoyko T, Gryczynski I, Akopova I, Gryczynski Z
91 - 96	Cooperative effects in static polarizabilities and second hyperpolarizabilities of hydrogen-bonded 4-pyridones Kishi R, Umezaki SY, Fukui H, Minami T, Kubota K, Takahashi H, Nakano M
97 - 104	Intermolecular interaction effects on the second hyperpolarizability of open-shell singlet diphenalenyl radical dimer Nakano M, Takebe A, Kishi R, Fukui H, Minami T, Kubota K, Takahashi H, Kubo T, Kamada K, Ohta K, Champagne B, Botek E
105 - 113	How much can donor/acceptor-substitution change the responses of long push-pull systems to DC fields? Springborg M, Kirtman B
114 - 117	The effects of the doped Cu on the physical properties of KNbO3 crystal Shen YW, Zhou ZX
118 - 123	Proton distribution in one-electron reduced thioredoxin modulated by aspartate 30: A QM/MM study Berges J, Rickard GA, Rauk A, Houee-Levin C
124 - 128	An extrapolation method for the partial wave energy of positron-atom complexes Saito SL
129 - 132	Density functionals for calculating NMR (1)J(CH) coupling constants in electron-rich systems Neto AC, dos Santos FP, Paula AS, Tormena CF, Rittner R
133 - 138	Net-sign identity information index: A novel approach towards numerical characterization of chemical signed graph theory Sahu PK, Lee SL
139 - 143	Accurate and feasible computations of structural and magnetic properties of large free radicals: The PBE0/N07D model Barone V, Cimino P