Chemical Physics Letters

Chemical Physics Letters, Vol.711 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (39 articles)

1 - 7	The determination of CHARMM force field parameters for the Mg2+ containing HIV-1 integrase Musyoka T, Bishop OT, Lobb K, Moses V
8 - 14	Structures and interactions among lysozyme proteins below the isoelectric point in presence of divalent ions Pandit S, Kundu S, Abbas S, Aswal VK, Kohlbrecher J
15 - 22	The Mg/Zr codoping on morphology and electrochemical properties of Li4Ti5O12 anode materials Li QL, Xue B, Tan Y, Sun JM, Wang K
23 - 26	Efficient evaluation of poly-electron populations in natural bond orbital analysis Glendening ED, Weinhold F
27 - 31	The convergence of the coupled cluster approach for MgO Bauschlicher CW
32 - 36	MoCoFeS hybridized with reduced graphene oxide as a new electrocatalyst for hydrogen evolution reaction Askari MB, Salarizadeh P, Seifi M, Rozati SM, Beheshti-Marnani A, Saeidfirozeh H
37 - 41	Optical characterization of tip bended Vertically Aligned Carbon Nanotubes array Asyraf MRM, Saleh T, Islam S, Rana M, Muthalif AGA
42 - 47	Frequency-dependent polarizabilities of diatomic molecules: Density functional theory and ab initio methods compared with quantum-defect Green function technique Kornev AS, Suvorov KI, Chernov VE, Zon BA
48 - 54	Photocatalytic mechanism of Au or Cl adsorption on the 1I-terminated BiOI (001) surface Qu Z, Wei XM, Zhu GQ, Huang YH
55 - 59	Alkaline-earthide: A new class of excess electron compounds Li-C6H6F6-M (M = Be, Mg and Ca) with extremely large nonlinear optical responses Hou JH, Zhu LS, Jiang DY, Qin JM, Duan Q
60 - 65	Quantum chemical exploration of conversion pathways and isomeric structures of C-16 molecules Ohno K
66 - 72	Optimization of replica exchange temperature ladder under the well-tempered ensemble Liu Y, Li WF, Mu YG
73 - 76	Theoretical investigation on structural effects of Pt-Mn catalyst on activity and selectivity for methylcyclohexane dehydrogenation Manabe S, Yabe T, Nakano A, Nagatake S, Higo T, Ogo S, Nakai H, Sekine Y
77 - 80	Upconversion luminescence and enhanced photocatalytic hydrogen production for Er3+ doped SrTiO3 nanopaeticles Zhou DD, Zhai PP, Hu GT, Yang J
81 - 86	Long-lived negative molecular ions of TCNQ formed by the resonant capture of electrons with above zero energies Khvostenko OG, Khatymova LZ, Lukin VG, Kinzyabulatov RR, Tuimedov GM, Tseplin EE, Tseplina SN
87 - 99	Molecular docking and spectral analysis of (5,7-Dimethyl-2-oxo-2H-chromen-4-yl)-methyl diethyldithiocarbamate : A potential bioactive agent Philip BM, John JS, Kumar KM, Devarajegowda HC, Chandy J, Sajan D
100 - 106	Synthesis of ZnO particles with multi-layer and biomorphic porous microstructures and ZnO/rGO composites and their applications for photocatalysis Jiang H, Zhang X, Gu W, Feng XQ, Zhang L, Weng YJ
107 - 112	Preparation of nitrogen doped carbon from tree leaves as efficient CO2 adsorbent Xu JG, Shi JS, Cui HM, Yan NF, Liu YW
113 - 117	Understanding the effects of the energy band alignment at the donor/acceptor interface on the open circuit voltage of organic photovoltaic devices Luo HK, Lai JQ, Wang C, Chen Q
118 - 126	A theoretical and experimental study on the effect of cationic moiety of quaternary ammonium tribromides in bromination reactions Karmaker R, Kuotsu NB, Ganguly A, Guchhait N, Sinh UB
127 - 131	Resonance enhanced multiphoton ionization and mass analyzed threshold ionization spectroscopy of 4-fluorobenzonitrile Zhao Y, Jin YH, Hao JY, Yang YG, Li CY, Jia ST
132 - 137	Multipath VTST rate constants for D plus methyl formate reactions: Importance of torsional anharmonicity and conformational flexibility for combustion chemistry Roberto-Neto O, Alves TV
138 - 147	A global optimisation study of the low-lying isomers of the alumina octomer (Al2O3)(8) Gobrecht D, Decin L, Cristallo S, Bromley ST
148 - 151	Investigating the photodissociation of H2O2 using frequency modulation laser absorption spectroscopy to monitor radical products Lockhart JPA, Gross EC, Sears TJ, Hall GE
152 - 155	In-situ synthesis of Ni nanoparticles confined within SiO2 networks with interparticle mesopores with enhanced selectivity for cinnamaldehyde hydrogenation Wang F, Bi YS, Chen N, Hu K, Wei XJ
156 - 165	Decomposition of acetic acid over Ru and Ru/MgO catalyst clusters under DFT framework Verma AM, Kishore N
166 - 172	The transition state of the automerization reaction of cyclobutadiene: A theoretical approach using the Restricted Active Space Self Consistent Field method Varras PC, Gritzapis PS
173 - 177	Composite material with high dielectric constant and low dielectric loss obtained through grafting of cyano groups in imidazolium ionic liquids Huang X, Zhou Z, Chen GX, Li QF
178 - 183	A novel Ag nanoprism@SiO2@QD composite nanostructure for nano-optics Li LJ, Hao YN, Guo JQ, Wang YL, Yu L
184 - 188	Simulation of experimental imaging results for four isotopic variants of the OH + CH4 reaction with a simple and relatively accurate theoretical approach Bonnet L, Espinosa-Garcia J
189 - 193	Hydrogen-/fluorine-passivation effects in amorphous silica fiber Peng ZX, Jia BN, Zhang J, Yan BB, Wang Y, Yang B, Lu PF
194 - 198	Evolution of the precursor solution and effect on morphology of perovskite film Xing R, Tang N, Ding K, Wang XF, Wang Z
199 - 206	On the general theory of bound state spectra in the Coulomb few- and many-body systems Frolov AM
207 - 212	Synthesis of porous BiOCl nanocubes with enhanced visible light photocatalytic performance Sun JY, Cai YJ, Xu HM, Zou ZW, Hu MY, Jin XZ, Sun L, Li DY, Xia DS
213 - 215	White-light-enhanced resistive switching in C/ZnO/C heterostructures Wu LC, Wang JS, Lu Y, Tang YY, Chen P
216 - 219	Raman spectrum & orange-yellow-light emission due to cadmium sulfide doped magnesium ions one-dimensional nanostructures Zhang J, Xu BL
220 - 226	Synthesis, crystal structure, vibrational spectra and thermal properties of novel ionic organic-inorganic hybrid material Bourzami R, AitYoucef HC, Hamdouni N, Sebais M
227 - 230	Liquid state property and intermetallic compound growth of Zr2Ni alloy investigated under electrostatic levitation condition Wang L, Hu L, Yang SJ, Wei B
231 - 235	Sublimation enthalpy of 1-aminoadamantane: Comparison of theory and experiment Dorofeeva OV, Filimonova MA