Chemical Physics Letters

Chemical Physics Letters, Vol.678 Entire volume, number list
ISSN: 0009-2614 (Print) 

In this Issue (45 articles)

1 - 4 Molecular origin of limiting shear stress of elastohydrodynamic lubrication oil film studied by molecular dynamics
Washizu H, Ohmori T, Suzuki A
5 - 8 Electronic properties of electron-doped [6,6]-phenyl-C61-butyric acid methyl ester and silylmethylfullerene
Furutani S, Okada S
9 - 16 Optical properties of donor-acceptor conjugated copolymers: A computational study
Fradon A, Cloutet E, Hadziioannou G, Brochon C, Castet F
17 - 22 Synthesis of 3C-SiC nanowires from a graphene/Si configuration obtained by arc discharge method
Zhang YF, Sheng LM, Fang YH, An K, Yu LM, Liu Y, Zhao XL
23 - 27 Experimental study on NO oxidation by K2S2O8 + Fe(II)EDTA
Hu H, Huang H, Tao GK, Xie J, Yang C, Huang T
28 - 34 Novel surface diffusion characteristics for a robust pentacene derivative on Au(111) surfaces
Miller RA, Larson A, Pohl K
35 - 39 Effect of fluoride ion on the stability of DNA hairpin
Liu C, Zhai WL, Gong HL, Liu YH, Chen H
40 - 45 Strikingly enhanced cooling performance for a micro-cooler using unique Cu nanowire array with high electrical conductivity and fast heat transfer behavior
Tan M, Wang XZ, Hao YM, Deng Y
46 - 50 Fabrication of silicon nanowires based on-chip micro-supercapacitor
Soam A, Arya N, Singh A, Dusane R
51 - 58 Computational evaluation of the remarkable electro-optical responses of the multilithiated pristine and heterosubstituted sumanenes
Kazemimoghadam F, Shakerzadeh E
59 - 64 Characterization of the hydrogen-bond network of water around sucrose and trehalose: H-O-H bending analysis
Shiraga K, Adachi A, Ogawa Y
65 - 71 Broadband terahertz dielectric spectroscopy of alcohols
Sarkar S, Saha D, Banerjee S, Mukherjee A, Mandal P
72 - 78 CTAB induced emission from water soluble polyarylene ether nitrile carboxylate and selective sensing of Fe (III) ions
Wei SL, Jia K, Shou HG, Zhou XF, Wang P, Liu XB
79 - 84 Effect of C-60 adducts on the dynamic structure of aromatic solvation shells
Peerless JS, Bowers GH, Kwansa AL, Yingling YG
85 - 90 A density functional theory investigation on amantadine drug interaction with pristine and B, Al, Si, Ga, Ge doped C60 fullerenes
Parlak C, Alver O
91 - 97 The evaluation and validation of copper (II) force field parameters of the Auxiliary Activity family 9 enzymes
Moses V, Bishop OT, Lobb KA
98 - 101 Quantitative contribution of molecular orbitals to hydrogen bonding in a water dimer: Electron density projected integral (EDPI) analysis
Zhang ZY, Jiang WR, Wang B, Wang ZG
102 - 106 Determination of adiabatic ionization potentials and electron affinities of energetic molecules with the Gaussian-4 method
Manaa MR
107 - 111 Surface transition in spin crossover nanoparticles
Mikolasek M, Nicolazzi W, Terki F, Molnar G, Bousseksou A
112 - 118 The Born-Oppenheimer molecular simulations of infrared spectra of crystalline poly-(R)-3-hydroxybutyrate with analysis of weak C-H center dot center dot center dot O=C hydrogen bonds
Brela MZ, Boczar M, Wojcik MJ, Sato H, Nakajima T, Ozaki Y
119 - 122 Influence of binding energy on dipole moment, polarizability and self-polarization effect of impurity doped quantum dots: Role of noise
Ghosh A, Bera A, Ghosh M
123 - 129 Conformational transition of DNA by dinuclear Pt(II) complexes causes cooperative inhibition of gene expression
Shimizu Y, Yoshikawa Y, Kenmotsu T, Komeda S, Yoshikawa K
130 - 138 Electronic, optical, and spectroscopic analysis of TBADN organic semiconductor: Experiment and theory
Orek C, Gunduz B, Kaygili O, Bulut N
139 - 145 Influence of thermocleavable functionality on organic field-effect transistor performance of small molecules
Mahale RY, Dharmapurikar SS, Chini MK, Venugopalan V
146 - 152 Evolution of microstructural defects of TiO2 nanocrystals by Zr4+ or/and Ge4+ doping lead to high disinfection efficiency for CWAs
Shen Z, Zhong JY, Chai NN, He X, Zang JZ, Xu H, Han XY, Zhang P
153 - 158 Structures of surface and interface of amorphous ice
Kumagai Y, Ikeda-Fukazawa T
159 - 166 Optimization of the spin-component-scaled factor for electron propagator method
Lim FH, Nishida M, Hori Y, Ida T, Mizuno M
167 - 176 The generation of charge carriers in semi conductors - A theoretical study
Kiarii EM, Govender KK, Ndungu PG, Govender PP
177 - 185 Car-Parrinello molecular dynamics study of the melting behaviors of n-atom (n=6,10) graphene quantum dots
Shekaari A, Abolhassani MR
186 - 191 Molecular dynamics study on oil migration inside silica nanopore
Sun JC, Zhang H, Hu M, Meng XJ, Yuan SL
192 - 195 Balance of O-2 and H-2 content under laser-induced breakdown of aqueous colloidal solutions
Barmina EV, Simakin AV, Shafeev GA
196 - 202 Alloying effect via comparative studies of ethanol dehydrogenation on Cu(111), Cu3Pd(111), and Cu3Pt(111)
Wu RT, Wang LC
203 - 211 The competition of densification and structure ordering during crystallization of HCP-Mg in the framework of layering
Luo J, Jiang YW, Yu RG, Wu YQ
212 - 215 The effect of reduced graphene oxide on MoS2 for the hydrogen evolution reaction in acidic solution
Lv JL, Yang M, Liang TX, Ken S, Hideo M
216 - 221 A first-principles study of overcrowded alkene-based light-driven rotary molecular motor as a possible optical molecular switch
Shao LN, Zhao JF, Cui B, Fang CF, Liu DS
222 - 232 Electrical anharmonicity and dampings contributions to Cl-(H)over-right-arrow stretching band in gaseous (CH3)(2)O center dot center dot center dot HCl complex: Quantum dynamic study and prediction of the temperature effects
Rekik N, Alshammari MF
233 - 240 Resolving H(Cl, Br, I) capabilities of transforming solution hydrogen-bond and surface-stress
Zhang X, Zhou Y, Gong YY, Huang YL, Sun CQ
241 - 249 Hydrolysis mechanism of (N, N) chelated cytotoxic Pt/Pd(II)-dichloro complexes: A theoretical approach
Mukherjee S, Reddy BVP, Mitra I, Linert W, Moi SC
250 - 258 Hydrolysis theory based on density functional studies for cytotoxic Pt(II) and Pd(II) complexes with benzimidazole derivative
Mitra I, Reddy BVP, Mukherjee S, Linert W, Moi SC
259 - 264 Theoretical study on the anion photoelectron spectra of Ln(COT)(2)(-) including the spin-orbit effects
Nakajo E, Yabushita S
265 - 270 Cryocoil magic-angle-spinning solid-state nuclear magnetic resonance probe system utilized for sensitivity enhancement in multiple-quantum magic-angle-spinning spectroscopy for a low-gamma quadrupolar nucleus of Rb-85
Nakai T, Toda M, Ashida J, Hobo F, Endo Y, Utsumi H, Nemoto T, Mizuno T
271 - 274 Carrier thermoelectric transport model for black phosphorus field-effect transistors
Lu ND, Wei W, Chuai XC, Li L, Liu M
275 - 282 Unusual cooperativity effects between halogen bond and donor-acceptor interactions: The role of orbital interaction
Esrafili MD, Mousavian P
283 - 288 Manifestation of T-exciton migration in the kinetics of singlet fission in organic semiconductors
Shushin AI
289 - 295 Unravelling the influence of quantum proton delocalization on electronic charge transfer through the hydrogen bond
Schran C, Marsalek O, Markland TE