Chemical Physics Letters

Chemical Physics Letters, Vol.580 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (33 articles)

1 - 8	The curious case of the water hexamer: Cage vs. Prism Babin V, Paesani F
9 - 13	An ab initio study of electric properties of linear (HCN)(N) and (HNC)(N) aggregates in gas phase Brandao I, Rivelino R, Fonseca TL, Castro MA
14 - 20	Towards an accurate treatment of sigma* <- sigma transitions: Moving onto N-6(center dot-) Dumont E, Ferre N, Monari A
21 - 27	The C-N dissociation energies of nitrobenzene and nitrotoluene radical anions and neutrals Pruitt CJM, Goebbert DJ
28 - 31	Resonant two-photon mass-analyzed threshold ionization of 2,5-difluoroaniline Huang WC, Huang PS, Hu CH, Tzeng WB
32 - 36	Theoretical study of the extremely small torsional barriers of thiophenol in the ground and the first excited electronic states Choi H, Park YC, Lee YS, An H, Baeck KK
37 - 42	The millimetre-wave spectrum of estragole Godfrey PD, McNaughton D, Evans CJ
43 - 47	Probing substrate-induced perturbations on the band structure of graphene on Ni(111) by soft X-ray emission spectroscopy Zhang L, Vinogradov N, Preobrajenski A, Butorin S, Zhu JF, Guo JH
48 - 52	Unexpectedly hard and highly stable WB3 with a noncompact structure Liang YC, Gou YP, Yuan X, Zhong Z, Zhang WQ
53 - 56	Distribution of electron density in charged Li@C-60 complexes Sadlej-Sosnowska N, Mazurek AP
57 - 61	Molecular adsorption study of nicotine and caffeine on single-walled carbon nanotubes from first principles Lee HJ, Kim G, Kwon YK
62 - 66	Kinetic study of graphene growth: Temperature perspective on growth rate and film thickness by chemical vapor deposition Xing SR, Wu W, Wang YA, Bao JM, Pei SS
67 - 72	The effects of acid treatment on the thermoelectric power of multiwalled carbon nanotubes synthesized by chemical vapor deposition Hewitt CA, Carroll DL
73 - 77	Dispersion studies of optical nonlinearity and excited state dynamics in cyclo [4] naphthobipyrroles Swain D, Anusha PT, Sarma T, Panda PK, Rao SV
78 - 81	Edge decorated SIC nanoribbons with metal: Coexistence of planar tetracoordinate carbon and silicon Wu MH, Pei Y, Zeng XC
82 - 87	Formation of extended probe-cyclodextrin nanotubular supra structures: Endogenous surfactants triggered on-demand release Mallick A, Haldar B, Roy UK
88 - 93	Is it possible to apply dynamics of solvent to locate metal nanoparticles inside an ionic liquids-containing microheterogeneous system? A comparative study Banerjee C, Mandal S, Ghosh S, Kuchlyan J, Sarkar N
94 - 98	Adsorption mechanism of chlorides on carbon nanotubes based on first-principles calculations Liu WH, Xu SF, Zhao XH, Yuan G, Mimura H
99 - 102	Simulation study of CO2 adsorption properties in small Zeolite Imidazolate Frameworks Rana MK, Suffritti GB, Demontis P, Masia M
103 - 107	New long-afterglow phosphors: Yb2+-doped strontium aluminates Kanno H, Noda K, Matsui K
108 - 114	Impurity effects and temperature influence on the exciton dissociation dynamics in conjugated polymers Ribeiro LA, da Cunha WF, Neto PHO, Gargano R, Silva GME
115 - 119	Ordering determination of Li2CoSiO4 polymorphs by first-principles calculations Zhang CX, Chen ZL, Li J
120 - 125	First-principles studies of carbon dioxide adsorption in cryptomelane/hollandite-type manganese dioxide Li L, Cockayne E, Williamson I, Espinal L, Wong-Ng W
126 - 129	Electro-optical properties from CC2 Calculations: A comparison between theoretical and experimental results Capobianco A, Centore R, Fusco S, Peluso A
130 - 134	Fluorescence quantum efficiency of CdSe/CdS magic-sized quantum dots functionalized with carboxyl or hydroxyl groups Pilla V, de Lima SR, Andrade AA, Silva ACA, Dantas NO
135 - 140	Amide I band and photoinduced disassembly of a peptide hydrogel Measey TJ, Markiewicz BN, Gai F
141 - 144	On UV-Vis spectra and structure of the anticancer drug camptothecin in solutions Dvoranova D, Bobenicova M, Soralova S, Breza M
145 - 151	The Douglas-Kroll-Hess method based on vector-potential-including Foldy-Wouthuysen transformation: Application to NMR shielding tensor Yoshizawa T, Hada M
152 - 159	The quasirelativistic contact interaction and effective electron and spin densities at the nucleus: A model based on weighting the electron density with the finite Gaussian nucleus model Malcek M, Bucinsky L, Biskupic S, Jayatilaka D
160 - 165	Chemical analysis using J-coupling multiplets in zero-field NMR Theis T, Blanchard JW, Butler MC, Ledbetter MP, Budker D, Pines A
166 - 171	A new family of hybrid density functionals Swart M
172 - 178	Solid-state proton NMR of paramagnetic metal complexes: DANTE spin echoes for selective excitation in inhomogeneously broadened lines Carnevale D, Linde AJP, Bauer G, Bodenhausen G
179 - 184	The role of Hartree-Fock exchange in the simulation of X-ray absorption spectra: A study of photoexcited [Fe(bpy)(3)](2+) Capano G, Penfold TJ, Besley NA, Milne CJ, Reinhard M, Rittmann-Frank H, Glatzel P, Abela R, Rothlisberger U, Chergui M, Tavernelli I