Chemical Physics Letters

Chemical Physics Letters, Vol.516, No.4-6 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (34 articles)

115 - 124	Ambiguities in surface nonlinear spectroscopy calculations Byrnes SJ, Geissler PL, Shen YR
125 - 130	GAUSSIAN basis set of sextuple zeta quality for hydrogen through argon Campos CT, Ceolin GA, Neto AC, Jorge FE, Pansini FNN
131 - 136	CI potential energy curves for three states of RuO2+ Tilson JL, Ermler WC, Fowler RJ
137 - 140	Classical versus quantum vibrational state distributions for the benchmark polyatomic reaction OH+D-2: Checking the validity of the QCT method Bonnet L, Espinosa-Garcia J, Corchado JC, Liu S, Zhang DH
141 - 145	A density-functional-theory study of biradicals from benzene to hexacene Kim HJ, Wang XY, Ma J, Cho JH
146 - 148	Theoretical studies of nickel atoms and nickel(II) ions coordinated with CO and BF ligands McDowell SAC, Buckingham AD
149 - 153	Tautomerism in 5-methyltetrazole investigated by core-level photoelectron spectroscopy and Delta SCF calculations Pinto RM, Dias AA, Coreno M, de Simone M, Giuliano BM, Santos JP, Costa ML
154 - 157	Computational characterization of the HOMO-2 photoemission intensity oscillations in C-60 Toffoli D, Stener M, Fronzoni G, Decleva P
158 - 161	High-temperature and high-pressure thermal expansivity of cubic PtC from quasi-harmonic Debye model Sun XW, Chen QF, Cai LC, Chen XR, Jing FQ
162 - 165	A chromophoric study of 2-ethylhexyl p-methoxycinnamate Alves LF, Gargano R, Alcanfor SKB, Romeiro LAS, Martins JBL
166 - 170	Blue or red Delta nu(XH) complexation shift in X-H center dot center dot center dot CO2 hydrogen-bonded complexes? Szostak R
171 - 173	Sum frequency generation study on the orientation of room-temperature ionic liquid at the graphene-ionic liquid interface Baldelli S, Bao JM, Wu W, Pei SS
174 - 176	Nickel induced iono-covalent character of hydrogen in RbMgH3 from first principles Al Alam AF, Matar SF, Ouaini N
177 - 181	Time-resolved laser-induced fluorescence spectroscopy of Nd3+ in molten LiCl-KCl eutectic Jung EC, Bae SE, Park YJ, Song K
182 - 185	Evidence for bi-exponential decay of pyrene in condensed phase: Possibility of complex formation with solvent molecules Roy P, Jana AK, Das S, Nath DN
186 - 191	Nonlinear optical properties of lead nanocrystals embedding glass induced by thermal treatment and femtosecond laser irradiation Lin G, Pan HH, Qiu JR, Zhao QZ
192 - 198	A low temperature in situ facile technique to enhance ultraviolet emission of zinc oxide nanorods and its mechanistic insights Sarkar S, Basak D
199 - 203	Density functional theory prediction of geometry and vibrational circular dichroism of bridged triarylamine helicenes Pandith AH, Islam N, Syed ZF, Suhail-ul Rehman, Bandaru S, Anoop A
204 - 207	Intriguing hybrid nanotubes with tunable structures Li L, Zhang LJ, Ren J, Zhang H, Sun XM, Li HP, Chen T, Peng HS
208 - 211	Dipole polarizability, sum rules, mean excitation energies, and long-range dispersion coefficients for buckminsterfullerene C-60 Kumar A, Thakkar AJ
212 - 215	Synthesis and characterization of nitrogen-doped monolayer and multilayer graphene on TEM copper grids Dai GP, Zhang JM, Deng SG
216 - 219	Molecular simulations of the competitive adsorption of siloxanes and water on amorphous silica surfaces as a function of temperature Floess JK, Murad S
220 - 224	A joint Raman and EPR spectroscopic study on ball-milled nanographites Tommasini M, Castiglioni C, Zerbi G, Barbon A, Brustolon M
225 - 229	Dependence of transport property of graphene nanoribbon on contacts: Electron-hole symmetry and conductance at the Dirac point Zhang GP, Qin ZJ
230 - 232	Hydrogen-doped cubic diamond and the crystal structure of n-diamond Wen B, Melnik R, Yao S, Li TJ
233 - 238	A mechanism of catalyzed GTP hydrolysis by Ras protein through magnesium ion Lu Q, Nassar N, Wang J
239 - 243	On the inhibition of AHAS by chlorimuron ethyl: A theoretical study Jana GA, Alderete JB, Delgado EJ
244 - 249	Investigation of hydrogen bond in binary mixture (pyridine plus propionic acid) by spectroscopy and DFT calculations Chen YZ, Liu TY, Qu GN, Sun S, Gao SQ, Zhou M, Sun CL, Li ZW
250 - 253	Explicit solvent effects on the visible absorption spectrum of a photosynthetic pigment: Chlorophyll-c(2) in methanol Jaramillo P, Coutinho K, Cabral BJC, Canuto S
254 - 256	Probing electric field in double-layer electroluminescence diode by optical second harmonic generation Lim E, Manaka T, Iwamoto M
257 - 262	Light yield and energy transfer in a new Gd-loaded liquid scintillator Aberle C, Buck C, Hartmann FX, Schonert S
263 - 267	Temporal quantum mechanics/molecular mechanics: Extending the time scales accessible in molecular dynamics simulations of reactions Dayal P, Weyand SA, McNeish J, Mosey NJ
268 - 271	Electron localization in nonplanar conjugated macrocycles: Failure of electron buffers to delocalize electrons Yang Y
272 - 276	Statistical properties of blinking kinetics in single molecule Peng YG, Zheng YJ