Chemical Physics Letters

Chemical Physics Letters, Vol.669 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (40 articles)

1 - 8	Electronic and vibrational properties of transition metal-oxides: Comparison of GGA, GGA plus U, and hybrid approaches Pandey SC, Xu X, Williamson I, Nelson EB, Li L
9 - 16	Cyanide anion sensing mechanism of 1,3,5,7-tetratolyl aza-BODIPY: Intramolecular charge transfer and partial configuration change Bhat HR, Jha PC
17 - 21	Size-controlled synthesis of Cu2O nanoparticles via reaction-diffusion Badr L, Epstein IR
22 - 28	Acid-induced crystallinity enhancement of graphite-like C3N3+xHy synthesized through a facile one-pot approach Yin H, Guo QX, He DZ, Li JT, Sun SG
29 - 37	Studying the effects of the configuration of doped Al atoms on the conductive properties of boron nitride nanotube using density functional theory Tavangar Z, Hamadanian M, Basharnavaz H
38 - 42	Laser-induced fluorescence spectroscopy of TaN in free-jet: Observation of high-lying excited electronic states Nakhate SG, Mukund S, Bhattacharyya S
43 - 48	Atmospheric oxidation of carbon disulfide (CS2) Zeng Z, Altarawneh M, Dlugogorski BZ
49 - 53	High pressure infrared spectroscopy study on C60*CS2 solvates Du MR, Zhou M, Yao MG, Ge P, Chen SL, Yang XG, Liu R, Liu B, Cui T, Sundqvist B, Liu BB
54 - 70	The power of exact conditions in electronic structure theory Bartlett RJ, Ranasinghe DS
71 - 79	Physiochemical charge stabilization of silver nanoparticles and its antibacterial applications Vanitha G, Rajavel K, Boopathy G, Veeravazhuthi V, Neelamegam P
80 - 84	t-C8B2N2: A potential superhard material Wang D, Shi R, Gan LH
85 - 91	Interactions of hypericin with a model mutagen - Acridine orange analyzed by light absorption and fluorescence spectroscopy Pietrzak M, Szabelski M, Kasparek A, Wieczorek Z
92 - 98	Mechanistic study of hemicucurbit[6]uril formation by step-growth oligomerization and end-to-end cyclization Yoo IK, Kang YK
99 - 103	Photoluminescence dynamics in singlet fission chromophore liquid melts Piland GB, Bardeen CJ
104 - 109	Polyoxomolybdate formation - A thermodynamic analysis from density functional/PCM calculations Steffler F, de Lima GF, Duarte HA
110 - 114	Ab initio insight into graphene nanofibers to destabilize hydrazine borane for hydrogen release Qian Z, Raghubanshi H, Hudson MSL, Srivastava ON, Liu XF, Ahuja R
115 - 118	An investigation on dispersion and stability of water-soluble fullerenol (C60OH) in water via UV-Visible spectroscopy Najafi A
119 - 124	Theoretical modeling of the absorption spectrum of aqueous riboflavin Zanetti-Polzi L, Aschi M, Daidone I, Amadei A
125 - 129	Electrochemical properties of poly(vinyl alcohol) and graphene oxide composite for supercapacitor applications Theophile N, Jeong HK
130 - 136	Spontaneous assembly of HSP90 inhibitors at water/octanol interface: A molecular dynamics simulation study Zolghadr AR, Boroomand S
137 - 142	Rayleigh-Brillouin scattering in SF6 in the kinetic regime Wang YQ, Yu Y, Liang K, Marques W, van de Water W, Ubachs W
143 - 149	Incorporation of quaternary ammonium salts containing different counterions to improve the performance of inverted perovskite solar cells Yan PR, Huang WJ, Yang SH
150 - 155	Heterodiffusion of Ag adatoms on imperfect Au(110) surfaces El Koraychy E, Sbiaai K, Mazroui M, Ferrando R, Boughaleb Y
156 - 160	Ultrafast ring-closing reaction dynamics of a photochromic furan-based difurylethene Khodko A, Khomenko V, Shynkarenko Y, Mamuta O, Kapitanchuk O, Sysoiev D, Kachalova N, Huhn T, Snegir S
161 - 165	The effect of urea on microstructures of tin dioxide grown on Ti plate and its supercapacitor performance Lv JL, Yang M, Miura H
166 - 170	Cooperative coupling of the Li cation and groups to amplify the charge transfer between C-60 and corannulene Sun G, Xu J, Chen ZY, Lei E, Liu XS, Liu CG
171 - 175	Microwave synthesis of non-crystalline BCNO phosphors using thiourea as nitrogen source and their tunable luminescence Chen JJ, Zhao Y, Mao ZY, Wang DJ, Bie LJ
176 - 180	Electric properties of the 3-methyl-4-nitropyridine-1-oxyde (POM) molecules in solid phase: A theoretical study including environment polarization effect Santos OL, Sabino JR, Georg HC, Fonseca TL, Castro MA
181 - 187	Approximate quantum trajectory approach to the Schrodinger-Langevin equation for barrier transmission Chou CC
188 - 191	Non-Born-Oppenheimer calculations of the rovibrational spectrum of H-2 excited to the second rotational level Jones K, Formanek M, Adamowicz L
192 - 195	Molecular dynamics study on core-shell structure stability of aluminum encapsulated by nano-carbon materials Yi QW, Xu JC, Liu Y, Zhai D, Zhou K, Pan D
196 - 201	Quantifying covalent interactions with resonant inelastic soft X-ray scattering: Case study of Ni2+ aqua complex Kunnus K, Josefsson I, Schreck S, Quevedo W, Miedema PS, Techert S, de Groot FMF, Fohlisch A, Odelius M, Wernet P
202 - 210	Transportation of MHD nanofluid free convection in a porous semi annulus using numerical approach Sheikholeslami M, Ganji DD
211 - 217	Theoretical studies on atmospheric chemistry of HFE-245mc and perfluoro-ethyl formate: Reaction with OH radicals, atmospheric fate of alkoxy radical and global warming potential Lily M, Baidya B, Chandra AK
218 - 223	Ginzburg-Landau free energy for molecular fluids: Determination and coarse-graining Desgranges C, Delhommelle J
224 - 229	Complete spin contamination-free MP2 method Nishida M, Lim FH, Hori Y, Ida T, Mizuno M
230 - 232	Comment on a spurious prediction of a non-planar geometry for benzene at the MP2 level of theory Samala NR, Jordan KD
233 - 237	How to characterize thermal transport capability of 2D materials fairly? - Sheet thermal conductance and the choice of thickness Wu XF, Varshney V, Lee J, Pang YS, Roy AK, Luo TF
238 - 244	Hydrogen adsorption on Be, Mg, Ca and Sr doped graphenes: The role of the dopant in the IIA main group Luo HJ, Li HJ, Fu QG
245 - 250	Speciation of uranium and doping induced defects in Gd1.98U0.02Zr2O7: Photoluminescence, X-ray photoelectron and positron annihilation lifetime spectroscopy Gupta SK, Reghukumar C, Pathak N, Sudarshan K, Tyagi D, Mohapatra M, Pujari PK, Kadam RM