Chemical Physics Letters

Chemical Physics Letters, Vol.500, No.1-3 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (34 articles)

1 - 8	A tale of two electrons: Correlation at high density Loos PF, Gill PMW
9 - 13	Neutral cyanide complexes of iron: Structure and stability Redondo P, Barrientos C, Largo A, Rayon VM
14 - 17	The influence of valence excitations on spectral distribution of vibrational excitations associated with C 1s photoionization in the CO molecule Krivosenko YS, Pavlychev AA
18 - 22	Nanosecond study of spin state transition induced by a single nanosecond laser shot on [Fe(NH(2)trz)(3)] compounds inside and outside their thermal hysteresis loops Galle G, Degert J, Mauriac C, Etrillard C, Letard JF, Freysz E
23 - 27	The self-diffusion coefficient in metastable states of a Lennard-Jones fluid Baidakov VG, Kozlova ZR
28 - 34	A far- and mid-infrared study of HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) under high pressure Pravica M, Galley M, Kim E, Weck P, Liu ZX
35 - 40	Should carbon nanotubes be degasified before filling? Chaban V
41 - 45	Computational study of cation influence on anion propensity for the air-water interface Cummings OT, Wick CD
46 - 48	ZnTe nanocrystal formation and growth control on UV-transparent substrate Dantas NO, Silva AD, da Silva SW, de Morais PC, Pereira-da-Silva MA, Marques GE
49 - 53	Atomic arrangement of copper atoms in a carbon nanotube channel under electromigration conditions Lim MCG, Zhong ZW
54 - 58	Assignment of the He@C-84 isomers in experimental NMR spectra using density functional calculations Stepanek P, Bour P, Straka M
59 - 64	Doping effects on the electric response properties of silicon clusters: A global structure-property investigation of AlSin-1 clusters (n=3-10) Karamanis P, Marchal R, Carbonniere P, Pouchan C
65 - 70	Theoretical study on pyrazinamide adsorption onto covalently functionalized (5,5) metallic single-walled carbon nanotube Saikia N, Deka RC
71 - 75	Relaxation of the electronic states at a thin-layer YBa2Cu3O7/PrBa2Cu3O7 interface Gomez JA, Larkin I, Schwingenschlogl U
76 - 81	Observation of water dissociation on nanometer-sized FeO islands grown on Pt(111) Wang W, Zhang H, Wang WH, Zhao AD, Wang B, Hou JG
82 - 85	Nano-level wettings of platinum and palladium on single-walled carbon nanotubes Lee S, Kahng SJ, Kuk Y
86 - 89	Photocatalytic water treatment over WO3 under visible light irradiation combined with ozonation Nishimoto S, Mano T, Kameshima Y, Miyake M
90 - 95	Hydrophobic to hydrophilic transition of HF-treated Si surface during Langmuir-Blodgett film deposition Bal JK, Kundu S, Hazra S
96 - 99	Quantification of thin graphene sheets contained in spherical aggregates of single-walled carbon nanohorns Irie M, Nakamura M, Zhang MF, Yuge R, Iijima S, Yudasaka M
100 - 103	Photocontrol of chiroptical properties of polydiacetylene carrying azobenzene in the side chain Jiang H, Pan XJ, Lei ZY, Zou G, Zhang QJ, Wang KY
104 - 110	Microsolvation of uracil anion radical in aqueous solution: a QM/MM study Brancato G, Rega N, Barone V
111 - 115	Spectral fine-tuning in excitonically coupled cyclic photosynthetic antennas Freiberg A, Timpmann K, Trinkunas G
116 - 119	Incorporation of solvation effects into the fragment molecular orbital calculations with the Poisson-Boltzmann equation Watanabe H, Okiyama Y, Nakano T, Tanaka S
120 - 122	Onsager heat of transport of carbon dioxide at the surface of aqueous ammonia: The remarkable effect of carbamate formation Packwood DM, Phillips LF
123 - 127	Graph theoretical approach to pi-electron currents in polycyclic conjugated hydrocarbons Randic M
128 - 139	Photophysical investigations and binding strength in supramolecular interaction of a newly designed diporphyrin tweezer with fullerenes C-60 and C-70 in solution Mukherjee S, Bauri AK, Bhattacharya S
140 - 143	New parameterization of the PM3 method for monosaccharides Mane JY, Klobukowski M
144 - 148	Non-Born-Oppenheimer MCTDH calculations on the confined H-2(+) molecular ion Skouteris D, Gervasi O, Lagana A
149 - 154	Partial energy gradient based on the fragment molecular orbital method: Application to geometry optimization Ishikawa T, Yamamoto N, Kuwata K
155 - 160	Atoms in Valence Bond - AiVB. Synopsis and test results Zielinski M, van Lenthe JH
161 - 166	Second Harmonic Generation, a new approach for analyzing the interfacial properties of a short tryptophan-rich peptide Matar G, Duboisset J, Benichou E, Bachelier G, Russier-Antoine I, Jonin C, Ficheux D, Brevet PF, Besson F
167 - 171	Accelerated ab initio molecular dynamics with response equation extrapolation Steele RP, Tully JC
172 - 177	Divide-and-conquer self-consistent field calculation for open-shell systems: Implementation and application Kobayashi M, Yoshikawa T, Nakai H
178 - 183	On the Ewald summation of Gaussian charges for the simulation of metallic surfaces Gingrich TR, Wilson M