Chemical Physics Letters

Chemical Physics Letters, Vol.713 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (46 articles)

1 - 9	On the many-electron self-interaction error of the semilocal exchange hole based meta-GGA level range-separated hybrid with the B88 hybrids Jana S, Patra B, Myneni H, Samal P
10 - 14	Visible emission spectroscopy of jet-cooled chloro-substituted 2-methylbenzyl radicals Lim M, Lee SK
15 - 20	Raman spectra of aqueous uracil stacked dimer: First principle molecular dynamics simulation Milovanovic B, Petkovic M, Etinski M
21 - 25	Conformer-related pathways in cycloaddition of vinylaziridines and alkynes catalyzed by rhodium(I)-complex Chen J, Huang MM, Xi F
26 - 31	Effects of electrode type and anchoring group on transport properties of a single molecule electronic device Xie F, Song CK, Zhang XJ, Liu JP, Wang HY, Xie HQ, Fan ZQ
32 - 38	Catalytic performance of micro-mesoporous materials as the supports for Pt catalysts in n-heptane isomerization Peyrovi MH, Parsafard N, Anajafi HR
39 - 45	Hydration study of MgSO4 using different theoretical and model approaches. is there a proton transfer? Fernandez M, Klapp J, Sigalotti LD, Ruette F
46 - 51	Tunable optical and electronic properties of gallium telluride monolayer for photovoltaic absorbers and ultraviolet detectors Al-Abbas SSA, Muhsin MK, Jappor HR
52 - 57	Information-theoretic model of self-organizing fullerenes and the emergence of C-60 Ahmad S
58 - 64	Exploring the structural evolution and electronic properties of medium-sized Nb2Sin-/0 (n=13-20) clusters by density functional theory calculations Lu SJ
65 - 70	Infrared spectra of Rg(1,2)-C6H6 complexes, Rg = He, Ne, Ar Esteki K, Barclay AJ, McKellar ARW, Moazzen-Ahmadi N
71 - 84	Theoretical investigation of structural, electronic and optical properties of (BeS)(1)/(BeSe)(1), (BeSe)(1)/(BeTe)(1) and (BeS)(1)/(BeTe)(1) superlattices under pressure Heciri D, Belkhir H, Hamidani A, Bououdina M, Ahuja R
85 - 90	Molecular dynamics simulation of bubble nucleation in two-component Lennard-Jones solutions Baidakov VG, Bryukhanov VM
91 - 97	Architectured mesoporous materials modified with nickel for alternative energy and environmental applications: Hydrogen storage and photo-Fenton contaminant degradation Carraro PM, Benzaquen TB, Oliva MI, Eimer GA
98 - 104	Preparation of pristine graphene paste for screen printing patterns with high conductivity Lin MY, Gai YZ, Xiao D, Tan HJ, Zhao YP
105 - 110	Extraction kinetics of rubidium in brine solutions by 4-tert-butyl-2-(alpha-methylbenzyl)phenol/sulfonated kerosene using a single drop method Huang DF, Zheng H, Li B, Ma GX
111 - 116	Ultrafast vibrational relaxation and energy dissipation of hydrated excess protons in polar solvents Kundu A, Dahms F, Fingerhut BP, Nibbering ETJ, Pines E, Elsaesser T
117 - 120	An equilibrium isotope effect due to a strong hydrogen bond Xu H, Luo T, Wu H, Yuan LB, Zhao SQ, Liang WJ, Zhong SA, Chen Y, Saunders M, Jiang JZ, Molina MJ
121 - 124	Elucidating the contribution of dipole resonance mode to polarization-dependent optical properties in single triangular gold nanoplates Lee J, Ha JW
125 - 131	QTAIM and stress tensor bond-path framework sets for the ground and excited states of fulvene Huang WJ, Xu T, Kirk SR, Filatov M, Jenkins S
132 - 136	Gas-phase proton affinity and basicity of hydroxybenzophenones Carlos LR, Loro H, Lago AF, Davalos JZ
137 - 144	Catalytic hydrolyses of trifluoroacetyl fluoride by water Song XL
145 - 148	A reactive bond fluctuation model (rBFM) for twin polymerization: Comparison of simulated morphologies with experimental data Huster C, Nagel K, Spange S, Prehl J
149 - 152	Adamantane template effect on the self-assembly of a molecular tetrahedron: A theoretical analysis Pichierri F
153 - 159	First principles calculations of interfacial properties and electronic structure of the AlN(0001)/Ti(0001) interface Jin WC, Li L, Zhang SS, Yang HS, Gao KW, Pang XL, Volinsky AA
160 - 165	Exploring the origin and magnitude of tetrasulfur tetranitrogen interaction with pi-ring systems using first principle calculations Si MK, Ganguly B
166 - 171	Engineering and design of simple models from dye-sensitive of solar cells and photovoltaic cells applications: Theoretical study Khudhair AM, Ajeel FN, Mohammed MH
172 - 179	Insights on porphyrin-functionalized graphene: Theoretical study of substituent and metal-center effects on adsorption Touzeau J, Barbault F, Maurel F, Seydou M
180 - 184	A novel self-heating zinc oxide/indium tin oxide based hydrogen gas sensor: Dual sensing mode of hydrogen gas detection Choo TF, Saidin NU, Kok KY
185 - 188	Chemical co-precipitation synthesis and properties of pure-phase BiFeO3 Wang XR, Yang CW, Zhou D, Wang ZY, Jin ML
189 - 193	Constructing 3D CNTs-SiO2@RGO structures by using GO sheets as template Liu Y, Xu YG, Fan BH, Yang MH, Hamon AL, Haghi-Ashtiani P, He DL, Bai JB
194 - 202	Ablation threshold measurements and surface modifications of 193 nm laser irradiated 4H-SiC Mohammed AF, Al-Jarwany QA, Clarke AJ, Amaral TM, Lawrence J, Kemp NT, Walton CD
203 - 209	Hetero-binuclear superhalogen anions with cyanide and/or isocyanide as ligands Yang H, Li Y, He HM, Yu D, Wu D, Li ZR
210 - 214	Dipolar susceptibility of protein hydration shells Seyedi S, Matyushov DV
215 - 225	Theoretical simulation of the Q(x)-band absorption and fluorescence spectra of cis-isobacteriochlorin: Including the Duschinsky and Herzberg-Teller effects Dong YJ, Zheng WZ, Fan XT, Zheng XF, Liang J
226 - 234	New environment-sensitive bis-dansyl molecular probes bearing alkyl diamine linkers: Emissive features and interaction with cyclodextrins Mocanu S, Ionita G, Ionescu S, Tecuceanu V, Enache M, Leonties AR, Stavarache C, Matei I
235 - 241	A gas sensor based on Ga-doped SnO2 porous microflowers for detecting formaldehyde at low temperature Du LT, Li HY, Li S, Liu L, Li Y, Xu SY, Gong YM, Cheng YL, Zeng XG, Lian QC
242 - 246	Formation of concentric shell carbon by homogeneous partial oxidation of methane Mordkovich VZ, Lugvishchuk DS, Mitberg EB, Kulnitskiy BA, Perezhogin IA, Kirichenko AN
247 - 252	Fabricating a novel three component nano-electrocatalyst, Co5.57Fe1.62Ni1.81S8/rGO, and its application toward electrochemical hydrogen evolution reaction Askari MB, Beheshti-Marnani A, Mirhabibi M, Abadi VMM, Es'haghi Z
253 - 258	Stabilizing effects of pairwise salt bridges between acidic and basic residues in a collagen heterotrimer Zheng HN, Liu H, Hu JY, Xu F
259 - 265	Green synthesized silver nanoparticles @ zeolite type A hybridized with carbon ceramic, AgZA-CCE, as a new nano-electrocatalyst for detection of ultra-trace amounts of rutin Rohani T, Mohammadi SZ, Karimi MA, Amini S
266 - 271	Unitary group approach for effective potentials in 2D systems: Application to carbon suboxide C3O2 Rodriguez-Arcos M, Lemus R
272 - 276	Effect of NiO impurity on the magneto-transport properties of the La0.7Ba0.3MnO3 granular manganite Mohamed AEMA, Mohamed AM, ElShafaie A, Mohamed HF, Diab AK, Ahmed AM
277 - 281	Bimodal velocity distributions in the photodesorption of CO from Si(100) suggest V-to-T energy transfer Lackner M, Lucassen D, Hasselbrink E
282 - 288	Theoretical study of positron scattering from pentane isomers Sinha N, Antony B
289 - 292	Electromagnetic nuclear spin conversion: Hydrogen on amorphous solid water Ilisca E