Chemical Physics Letters

Chemical Physics Letters, Vol.557 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (38 articles)

1 - 9	Substituent R-effects on the core-electron excitation spectra of hydrogen-bonded carboxylic-acid (R-COOH) clusters: Comparison between acetic-acid and formic-acid clusters Tabayashi K, Takahashi O, Namatame H, Taniguchi M
10 - 14	The effect of carbon nanotubes on chiral chemical reactions Rance GA, Miners SA, Chamberlain TW, Khlobystov AN
15 - 18	Geometry and electronic structure of neutral and charged B-21 clusters Casillas R, Baruah T, Zope RR
19 - 25	Structure of 1-naphthol-water clusters in the S-1 state studied by UV-IR fluorescence dip spectroscopy and ab initio molecular orbital calculations Shimizu T, Yoshino R, Ishiuchi SI, Hashimoto K, Miyazaki M, Fujii M
26 - 30	On the contribution of non-additive three-body interactions to the third virial coefficient of para-hydrogen Garberoglio G
31 - 36	Observation of the Delta v = -4 vibronic sequence of the C-2 Swan system Yeung SH, Chan MC, Wang N, Cheung ASC
37 - 42	Thermochemistry and kinetics of the trans-N2H2 + N reaction Spada RFK, Ferrao LFA, Cardoso DVV, Roberto-Neto O, Machado FBC
43 - 48	An approximate quantum mechanical study of the N+O -> NO++e(-) associative ionisation Skouteris D, Lagana A, Pirani F
49 - 52	Incipient chemical bond formation of Xe to a cationic silicon cluster: Vibrational spectroscopy and structure of the Si4Xe+ complex Savoca M, Langer J, Harding DJ, Dopfer O, Fielicke A
53 - 58	Lowest energy vibrational modes of some naphthalene derivatives: Azulene, quinoline, isoquinoline - Experiment and theory Martin-Drumel MA, Pirali O, Loquais Y, Falvo C, Brechignac P
59 - 65	CH center dot center dot center dot pi and pi center dot center dot center dot pi interaction in benzene-acetylene clusters Majumder M, Mishra BK, Sathyamurthy N
66 - 70	Two-photon excitations of the Cs-2 3(3)Sigma(+)(g) state: Assignment and analysis with the deformed ab initio potential Sovkov VB, Li D, Ivanov VS, Skublov AS, Xie F, Li L, Magnier S
71 - 75	Spatial spin-charge separation in neutral endohedral metallofullerene: A combined restricted open-shell MP2 and Car-Parrinello molecular dynamics study Chattopadhyaya M, Murugan NA, Alam MM, Chakrabarti S
76 - 79	Dynamic self assembly of confined active nanoparticles Chen YP, Shi YF
80 - 87	Stability and dynamics of vacancy in graphene flakes: Edge effects Santana A, Popov AM, Bichoutskaia E
88 - 91	Cascade organic solar cells with energy-level-matched three photon-harvesting layers Sim M, Kim JS, Shim C, Cho K
92 - 96	Crystalline and tensile properties of carbon nanotube and graphene reinforced polyamide 12 fibers Chatterjee S, Nuesch FA, Chu BTT
97 - 101	Improved functionalization and recovery of carboxylated carbon nanotubes using the acoustic cavitation approach Ng CM, Manickam S
102 - 105	First-principles study of cubane-type ZnO: Another ZnO polymorph Zhang SL, Zhang YH, Huang SP, Wang P, Tian HP
106 - 109	Computational prediction of hydrogen sulfide and methane separation at room temperature by anatase titanium dioxide Sun CH
110 - 113	Structural dependence of magnetic exchange coupling parameters in transition-metal complexes Melo JI, Phillips JJ, Peralta JE
114 - 117	Evaluation of the interlayer interactions of few layers of graphene Tsurumi J, Saito Y, Verma P
118 - 122	ESR study of spin relaxation in graphene Augustyniak-Jablokow MA, Tadyszak K, Mackowiak M, Lijewski S
123 - 128	Theoretical exploration to the substituting effect on second-order nonlinear optical properties for lacunary gamma-Keggin polyoxometalates Zhang T, Ma NN, Yan LK, Wen SZ, Su ZM
129 - 133	Ultrafast exciton dynamics in colloidal aluminum phosphide nanocrystals Busby E, Thibert A, Fuzell J, Arrington DC, Jawaid AM, Snee PT, Larsen DS
134 - 139	Role of biologically active inorganic anions Cl- and Br- in inclusion complex formation of alpha-cyclodextrin with some aromatic carboxylic acids Terekhova I, Chibunova E, Kumeev R, Alper G
140 - 144	Theoretical study of zeatin - A plant hormone and potential drug for neural diseases - On the basis of DFT, MP2 and target docking Liu XP, Berezniak T, Panek JJ, Jezierska-Mazzarello A
145 - 149	Dynamics and structural changes induced by ATP and/or substrate binding in the inward-facing conformation state of P-glycoprotein Watanabe Y, Hsu WL, Chiba S, Hayashi T, Furuta T, Sakurai M
150 - 153	On the use of Bader's atomic charges for the evaluation of charge transfers between ground and excited states Tognetti V, Joubert L
154 - 158	Pairing and unpairing electron densities in organic systems: [1.1.1]Propellane case Lobayan RM, Bochicchio RC
159 - 162	Contribution of van der Waals interactions to the adsorption energy of C2H2, C2H4, and C6H6 on Si(100) Kim SW, Lee JH, Kim HJ, Cho JH
163 - 169	Transition rate of aligned coupled electrical dipoles between equivalent stable equilibrium configurations Battezzati M
170 - 175	Analysis of the performance of DFT-D, M05-2X and M06-2X functionals for studying pi center dot center dot center dot pi interactions Josa D, Rodriguez-Otero J, Cabaleiro-Lago EM, Rellan-Pineiro M
176 - 181	Solving a coupled perturbed equation by the residual cutting method Abe T, Sekine Y, Sato F
182 - 185	Investigation of the local structure and EPR spectra for Nd3+ in Bi4Ge3O12 Li H, Kuang XY, Li CG, Wang ZH, Sheng XW
186 - 190	Manifestation of strong quadrupole light-molecule interaction in the SEIRA spectra of some symmetrical molecules Polubotko AM
191 - 193	On the failure of sustained oscillations in the bromate/hypophosphite-acetone/dual catalyst flow system Nogueira PA, Faria RB, Varela H
194 - 194	Assessing the importance of Van der Waals interactions on the adsorption of azobenzene on the rutile TiO2(110) surface (vol 545, pg 60, 2012) Ramalho JPP, Illas F