Chemical Physics Letters

Chemical Physics Letters, Vol.568 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (39 articles)

1 - 8	Two-electron reduction of ethylene carbonate: A quantum chemistry re-examination of mechanisms Leung K
9 - 13	Vibrational predissociation spectroscopy of Ar-tagged, trisubstituted silyl cations DeBlase AF, Scerba MT, Lectka T, Johnson MA
14 - 20	Accurate bond dissociation energy of water determined by triple-resonance vibrational spectroscopy and ab initio calculations Boyarkin OV, Koshelev MA, Aseev O, Maksyutenko P, Rizzo TR, Zobov NF, Lodi L, Tennyson J, Polyansky OL
21 - 25	Excited-state dynamics of astaxanthin aggregates Fuciman M, Durchan M, Slouf V, Kesan G, Polivka T
26 - 32	Application of zero-dipole summation method to molecular dynamics simulations of a membrane protein system Kamiya N, Fukuda I, Nakamura H
33 - 35	Omni-conducting fullerenes Fowler PW, Pickup BT, Todorova TZ, De Los Reyes R, Sciriha I
36 - 41	Spectroscopic study on nonradiative transition and ionization of 5-methylpyrimidine at S-1 probed by the slow-electron velocity-map imaging (SEVI) technique Lee J, Kim SY, Kim SK
42 - 48	DFT and CCSD(T) electronic properties and structures of aluminum clusters: Al-n(x) (n=1-9, x=0, +/- 1) Kiohara VO, Carvalho EFV, Paschoal CWA, Machado FBC, Roberto-Neto O
49 - 54	A FCI benchmark on beryllium dimer: The lowest singlet and triplet states Helal W, Evangelisti S, Leininger T, Monari A
55 - 58	Anomalously large low-energy elastic cross sections for electron scattering from the CF3 radical Brunton JR, Hargreaves LR, Buckman SJ, Garcia G, Blanco F, Zatsarinny O, Bartschat K, Brunger MJ
59 - 62	Kinetics and mechanism of the reaction of acetonyl radical, CH3C(O)CH2, with Br-2 Zugner GL, Szabo E, Farkas M, Dobe S, Brudnik K, Sarzynski D, Jodkowski JT
63 - 69	Comprehensive investigations on DNa center dot center dot center dot A (D = H/F) complexes show why'sodium bonding' is not commonly observed Parajuli R, Arunan E
70 - 74	Configurational entropy of ice from thermodynamic integration Herrero CP, Ramirez R
75 - 79	Molecular interactions between fullerene C-60 and ionic liquids Maciel C, Fileti EE
80 - 83	Visible and near infrared photoluminescence of Pr3+ doped oxy-chalcohalide glasses Zhang R, Liu YY, Ren J, Chen GR
84 - 89	Adsorption of CO2 on Cu2O (111) oxygen-vacancy surface: First-principles study Wu HW, Zhang N, Wang HM, Hong SG
90 - 94	Local statistical interpretation for water structure Sun Q
95 - 100	Surface-enhanced Raman scattering spectra of radial breathing and G band modes in functionalised nanotubes Al-Alttar N, Kopf I, Flavin K, Kennedy E, Giordani S, Rice JH
101 - 105	Langmuir-Blodgett assembly of sulphonated graphene nanosheets into single- and multi-layered thin films Jia BP, Zou LD
106 - 111	Theoretical insights into the structure of the eta(5)-(Cp*)C+ cation Pichierri F
112 - 116	The physical effects on the formation of polyynes by laser ablation Park YE, Shin SK, Park SM
117 - 120	Investigation of the (1 x 2)-H/Pd(110)-pr system using DFT Shuttleworth IG
121 - 124	Magnetoelectric effect in organometallic vanadium-benzene wires Manchanda P, Kumar P, Skomski R, Kashyap A
125 - 129	The structure and optical absorption of single source precursors for II-VI quantum dots Wang XQ, Zeng Q, Shi J, Jiang G, Yang ML, Liu XY, Enright G, Yu K
130 - 134	Near-edge X-ray absorption fine structure study of the C-60-derivative PCBM Brumboiu IE, Anselmo AS, Brena B, Dzwilewski A, Svensson K, Moons E
135 - 139	Aqueous-phase synthesis of silver nanoplates: Enhancing lateral growth via a heat-up process Lim GH, Han I, Yu T, Lim B
140 - 145	Oxygen doped SiC nanowires: An ab initio study Rosso EF, Baierle RJ
146 - 150	Crystallographic orientation of early domains in CVD graphene studied by Raman spectroscopy Jegal S, Hao YF, Yoon D, Ruoff RS, Yun H, Lee SW, Cheong H
151 - 156	Covalent conjugation of graphene oxide with methotrexate and its antitumor activity Wojtoniszak M, Urbas K, Peruzynska M, Kurzawski M, Drozdzik M, Mijowska E
157 - 160	Charge carrier kinetics in MnOx, Mn2O3 and Mn3O4 films for water oxidation Ramirez A, Friedrich D, Kunst M, Fiechter S
161 - 166	On the performance of the semiempirical quantum mechanical PM6 and PM7 methods for noncovalent interactions Hostas J, Rezac J, Hobza P
167 - 169	A binomial stochastic kinetic approach to the Michaelis-Menten mechanism Lente G
170 - 175	Multipole moments using extended coupled cluster method Joshi SP, Vaval N
176 - 183	Overcoming the existent computational challenges in the ab initio calculations of the two-photon circular dichroism spectra of large molecules using a fragment-recombination approach Diaz C, Echevarria L, Hernandez FE
184 - 189	Atomic displacements due to spin-spin repulsion in conjugated alternant hydrocarbons Estrada E, Benzi M
190 - 194	Investigating the thermoelectric properties of synthesized Bi2Te3 under different synthesis pressures Guo X, Jia XP, Jie KK, Sun HR, Zhang YW, Sun B, Ma HG
195 - 197	Why plerograms are not used in chemical graph theory? The case of terminal-Wiener index Gutman I, Essalih M, El Marraki M, Furtula B
198 - 201	Organic salt-assisted liquid-phase exfoliation of graphite to produce high-quality graphene Du WC, Lu J, Sun PP, Zhu YY, Jiang XQ
202 - 202	First-principles study of cubane-type ZnO: Another ZnO polymorph (vol 557, pg 102, 2013) Zhang SL, Zhang YH, Huang SP, Wang P, Tian HP