화학공학소재연구정보센터

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