Chemical Physics Letters

Chemical Physics Letters, Vol.686 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (36 articles)

1 - 6	Static second hyperpolarizability of diffuse electron compound M2X (M = Li, na; X = H, F): Ab-initio study of basis set effect and electron correlation Hatua K, Mondal A, Nandi PK
7 - 11	The potential for the indirect crystal structure verification of methyl glycosides based on acetates' parent structures: GIPAW and solid-state NMR approaches Szeleszczuk L, Gubica T, Zimniak A, Pisklak DM, Dabrowska K, Cyranski MK, Kanska M
12 - 17	Insights into the error bypass of 1-Nitropyrene DNA adduct by DNA polymerase iota: A QM/MM study Li YW, Bao L, Zhang RM, Tang XW, Zhang QZ, Wang WX
18 - 25	Molten salt synthesis of NaNbxTa1-xO3 perovskites with enhanced photocatalytic activity Wang M, Fang MH, Min X, Huang ZH, Tang C, Liu YG, Wu XW
26 - 33	Diffusion of hydrogen molecules in MOF-508a with a reversible open-dense framework: A computational study Farzi N, Salehi N, Sabzyan H
34 - 43	Effect of single and multi-wall carbon nanotubes on the mechanical properties of Gd-123 superconducting phase Anas M, Ebrahim S, Eldeen IG, Awad R, Abou-Aly AI
44 - 48	In situ TEM observation of novel chemical evolution of MnBr2 catalyzed by Cu under electron beam irradiation Wang W, Bai XW, Guan XX, Shen X, Yao Y, Wang YG, Zou BS, Yu RC
49 - 54	Direct reform of graphite oxide electrodes by using ambient plasma for supercapacitor applications Kim HJ, Jeong HK
55 - 59	Ab initio dynamics of unimolecular decomposition of beta-propiolactone and beta-propiolactam Mai TVT, Duong MV, Le XT, Huynh LK
60 - 67	Aluminum-phosphorus triple bonds: Do substituents make Al equivalent to P synthetically accessible? Lu JS, Yang MC, Su MD
68 - 73	A molecular heterojunction of zinc phthalocyanine and peanut-shaped fullerene polymer: A density functional study Tanikawa K, Ohno K, Noda Y, Ono S, Kuwahara R, Takashima A, Nakaya M, Onoe J
74 - 77	Probing the electronic environment of binary and ternary ionic liquid mixtures by X-ray photoelectron spectroscopy Men S, Licence P
78 - 82	Solid state synthesis of CaTiO3:Dy3+/Eu3+ phosphors towards white light emission Li F, Liu X, He T
83 - 87	First-principles study of SO2 sensors based on phosphorene and its isoelectronic counterparts: GeS, GeSe, SnS, SnSe Guo SY, Yuan L, Liu XH, Zhou WH, Song XF, Zhang SL
88 - 96	Benzthiazoline-2-thione (BTT) revisited: An experimental and theoretical endeavor to understand UV-spectra Bandyopadhyay P, Bhattacharya B, Majhi K, Majee P, Sarkar U, Seikh MM
97 - 102	Study of bi-dimensional materials using a semi-empirical potential including a torsional term Halac EB, Reinoso M, Burgos E
103 - 110	Large scale structural optimization of trimetallic Cu-Au-Pt clusters up to 147 atoms Wu GH, Sun Y, Wu X, Chen R, Wang Y
111 - 115	Hierarchical mordenite zeolite nano-rods bundles favourable to bulky molecules Dai G, Hao WM, Xiao H, Ma JH, Li RF
116 - 123	Reaction mechanisms of CO oxidation on cationic, neutral, and anionic X-O-Cu (X = Au, Ag) clusters Zhang Y, He X
124 - 130	Energy-decomposition analysis of ion-neutral complexes along reaction coordinates of unimolecular proton-transfer reaction in gas phase: Comparison between 2-butanol radical ion and protonated 2-ethoxypropane ion Sugimura N, Igarashi Y, Aoyama R, Shibue T
131 - 133	Entropy of gaseous boron monobromide Wang JF, Peng XL, Zhang LH, Wang CW, Jia CS
134 - 139	Nanofiber/ZrO2-based mixed matrix separator for high safety/high-rate lithium-ion batteries Xiao W, Liu JG, Yan CW
140 - 147	A first-principles study of aryloxyanthraquinone-based optical molecular switch Vakili M, Sobhkhizi A, Darugar V, Kanaani A, Ajloo D
148 - 154	Insight into chemical speciation based on solvent physical parameters: Illustration study using octahedral Pt(IV) complexes in several organic media Jansat S
155 - 160	The role of surface functionalities in fabricating supported Pd-P nanoparticles for efficient formic acid oxidation Yu WZ, Xin ZL, Zhang W, Xie YA, Wang J, Niu S, Wu YF, Shao LD
161 - 166	On the applicability of simplified state-to-state models of transport coefficients Kustova E, Mekhonoshina M, Oblapenko G
167 - 172	Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study Sredojevic DN, Kovac T, Dzunuzovic E, Dordevic V, Grgur BN, Nedeljkovic JM
173 - 177	Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field Zhou M, Hu Y, Liu JC, Cheng K, Jia GZ
178 - 182	Sodium citrate functionalized reusable Fe3O4@TiO2 photocatalyst for water purification Li WY, Wu HY
183 - 188	X-ray induced synthesis of a novel material: Stable, doped solid CO at ambient conditions Pravica M, Evlyukhin E, Cifligu P, Harris B, Koh JJ, Chen N, Wang YG
189 - 194	The role of electrostatic interactions and solvent polarity on the N-15 NMR shielding of azines Modesto-Costa L, Gester RM, Manzoni V
195 - 202	Organo-Zintl-based superatoms: [Ge-9(CHO)(3)] and [Ge-9(CHO)] Reddy GN, Jena P, Giri S
203 - 211	Water-resistance of macromolecules adsorbed on CH3NH3PbI3 surfaces: A first-principles study Chen PT, Yung TY, Liu TY, Sher CW, Hayashi M
212 - 217	Fluorescence lifetime, dipole orientation and bilayer polymer films Ho XL, Chen PJ, Woon WY, White JD
218 - 222	Revisiting the photophysics of 9-fluorenone: Ultrafast time-resolved fluorescence and theoretical studies Chang CW, Solling TI, Diau EWG
223 - 223	Manifestation of T-exciton migration in the kinetics of singlet fission in organic semiconductors (vol 678, pg 283, 2017) Shushin AI