Chemical Physics Letters

Chemical Physics Letters, Vol.685 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (78 articles)

1 - 8	Computational search for aflatoxin binding proteins Wang Y, Liu JF, Zhang LJ, He X, Zhang JZH
9 - 15	A new potential energy surface and microwave and infrared spectra of the Kr-D2O complex Wang ZQ, Feng EY, Zhang CZ, Sun CY
16 - 22	Phosphorene quantum dot-fullerene nanocomposites for solar energy conversion: An unexplored inorganic-organic nanohybrid with novel photovoltaic properties Rajbanshi B, Kar M, Sarkar P, Sarkar P
23 - 26	Comparative study of conduction-band and valence-band edges of TiO2, SrTiO3, and BaTiO3 by ionization potential measurements Fujisawa JI, Eda T, Hanaya M
27 - 33	Wetting kinetics of nanodroplets on lyophilic nanopillar-arrayed surfaces: A molecular dynamics study Zong DY, Yang Z, Duan YY
34 - 39	Effect of shape of protrusions and roughness on the hydrophilicity of a surface Chowdhury SS, Pandey PR, Kumar R, Roy S
40 - 46	Chemical etching of copper foils for single-layer graphene growth by chemical vapor deposition Yoshihara N, Noda M
47 - 53	Triiodide and mixed tri-halide anions from negative ion electrospray ionization of alkali halide solutions Shukla A
54 - 59	Energetics of the contact minimum configuration of two hard spheres in water Graziano G
60 - 68	The origin of phosphorescence in Iridium (III) complexes. The role of relativistic effects Cantero-Lopez P, Paez-Hernandez D, Arratia-Perez R
69 - 76	An automated and efficient conformation search of L-cysteine and L,L-cystine using the scaled hypersphere search method Kishimoto N, Waizumi H
77 - 83	Interaction between polymer-coated carbon nanotubes with coarse-grained computations Vo MD, Papavassiliou DV
84 - 88	Indications of hard-soft-acid-base interactions governing formation of ultra-small (r < 3 nm) digestively ripened copper oxide quantum-dots Talluri B, Thomas T
89 - 94	Synthesis and luminescent properties of Eu3+, Eu3+/Bi3+ and Gd3+ codoped YAG:Ce3+ phosphors and their potential applications in warm white light-emitting diodes Yang YG, Li J, Liu B, Zhang YY, Lv XS, Wei L, Wang XP, Xu JH, Yu HJ, Hu YY, Zhang HD, Ma L, Wang JY
95 - 102	The influence of metastable molecular nitrogen N-2(A(3) Sigma(+)(u)) on the electronic kinetics of CO molecules Kirillov AS, Werner R, Guineva V
103 - 107	Versatile gold based SERS substrates fabricated by ultrafast laser ablation for sensing picric acid and ammonium nitrate Byram C, Moram SSB, Shaik AK, Soma VR
108 - 113	The effects of Co/N dopants on the electronic, redox potential, optical, and photocatalytic water-splitting properties of TiO2: First principles calculations Zhao YF, Wang W, He L
114 - 118	OH-functionalization strategy in Metal-Organic Frameworks for drug delivery Kotzabasaki M, Tylianakis E, Klontzas E, Froudakis GE
119 - 126	Preparation of TiO2/Ag binary nanocomposite as high-activity visible-light-driven photocatalyst via graft polymerization Park JT, Lee CS, Park CH, Kim JH
127 - 132	Insights into the all-metal [Sb3Au3Sb3](3) sandwich complex from a QTAIM and stress tensor analysis Wang LL, Ping Y, Momen R, Azizi A, Xu TL, Rodriguez JI, Anderson JSM, Kirk SR, Jenkins S
133 - 138	Solvent dependence of cyanoindole fluorescence lifetime Hilaire MR, Mukherjee D, Troxler T, Gai F
139 - 145	Ag-protein plasmonic architectures for surface plasmon-coupled emission enhancements and Fabry-Perot mode-coupled directional fluorescence emission Badiya PK, Patnaik SG, Srinivasan V, Reddy N, Manohar CS, Vedarajan R, Mastumi N, Belliraj SK, Ramamurthy SS
146 - 150	An electrochemical immunosensor based on pristine graphene for rapid determination of ractopamine Qi SP, Zhao B, Zhou B, Jiang XQ
151 - 156	Dissociative ionization of CH2Br2 in 800 and 400 nm femtosecond laser fields Zhang J, Yang Y, Li ZP, Sun ZR
157 - 164	A highly stable electrochemiluminescence sensing system of cadmium sulfide nanowires/graphene hybrid for supersensitive detection of pentachlorophenol Deng YN, Chang QY, Yin K, Liu CB, Wang Y
165 - 170	Kinetics and mechanism of the reaction of recombination of vinyl and hydroxyl radicals Knyazev VD
171 - 176	Dimeric configurations of atomic hydrogen adsorbed on a monolayer hexagonal boron nitride Shi JZ, Hao RR, Ji LN, Feng SJ, Sun TY
177 - 184	Synthesis, electronic structure and luminescent properties of a new red-emitting phosphor GdBiW2O9:Eu3+ Xie Z, Zhou WW, Zhao W, Zhang H, Hu QC, Xu XE
185 - 190	Mean field treatment of heterogeneous steady state kinetics Geva N, Vaissier V, Shepherd J, Van Voorhis T
191 - 197	Magnetic and electronic properties of double perovskite Lu2MnCoO6: Ab-initio calculations and Monte Carlo simulation Ahmed SS, Boujnah M, Bahmad L, Benyoussef A, El Kenz A
198 - 204	Diels-Alder addition to H2O@C-60 an electronic and structural study Reveles JU, Govinda KC, Baruah T, Zope RR
205 - 209	Super-spiral structures of bi-stable spiral waves and a new instability of spiral waves Gao J, Wang Q, Lu HP
210 - 216	Impact of CH3NH3PbI3-PCBM bulk heterojunction active layer on the photovoltaic performance of perovskite solar cells Chaudhary DK, Kumar P, Kumar L
217 - 221	An optical investigation of nano-crystalline CaF2 particles doped with Nd3+ ions O'Dwyer C, James HJ, Cheu B, Jaque F, Han TPJ
222 - 228	Isomerization of the RPSB chromophore in the gas phase along the torsional pathways using QTAIM Ping Y, Xu TL, Momen R, Azizi A, Kirk SR, Filatov M, Jenkins S
229 - 238	Study of the dynamics and isotopic effects in the D plus MgD reaction using the quasi-classical trajectory method Huang ZY, Li R, Ge MH, Zheng YJ, Meng XJ, Yang H
239 - 243	Protonic charge defect structures in floating water bridges observed as Zundel and Eigen solvation arrangements Teschke O, de Castro JR, Valente JF, Soares DM
244 - 250	Estimation of thermodynamic parameters for Au-and Mg-based metallic glasses Gaur J, Mishra RK
251 - 258	Strengthening of hydrogen bonding with the push-pull effect Tao YW, Zou WL, Kraka E
259 - 262	One-step synthesis of nitrogen-doped carbon nanofibers from melamine over nickel alloy in a closed system Kenzhin RM, Bauman YI, Volodin AM, Mishakov IV, Vedyagin AA
263 - 269	Reaction-mediated entropic effect on phase separation in a binary polymer system Sun SJ, Guo MC, Yi XS, Zhang ZG
270 - 274	A case of a single water molecule accelerating the atmospheric reactions of hydroxyl radical at temperatures near 200 K Kaur R, Vikas
275 - 281	A practical law to predict the appearance sizes of multiply charged rare-gas and molecular clusters Bonhommeau DA
282 - 287	Observation of temperature- dependent kinetics for catalytic CO oxidation over TiO2-supported Pt catalysts Yu XM, Wang YF, Kim A, Kim YK
288 - 293	Exploiting sparsity in free energy basin-hopping Sutherland-Cash KH, Mantell RG, Wales DJ
294 - 299	Molecular dynamics study on mechanism of preformed particle gel transporting through nanopores: Surface chemistry and heterogeneity Cui P, Zhang H, Ma Y, Hao QQ, Liu G, Sun JC, Yuan SL
300 - 304	Analytical nuclear derivatives for the parametric two-electron reduced density matrix method Valentine AJS, Mazziotti DA
305 - 309	General form of intramolecular nuclear spin isomers mixing in C3v-symmetry Il'ichov LV
310 - 315	First-principles prediction of a novel cadmium disulfide monolayer (penta-CdS2): Indirect to direct band gap transition by strain engineering Naseri M
316 - 321	The characterisation of the "X'' crystal structure in the Stillinger-Weber potential Fijan D, Wilson M
322 - 327	Mechanism of translational jump of a hydrophobic solute in supercooled water: Importance of presolvation Indra S, Daschakraborty S
328 - 337	Dissipative particle dynamics simulation on the self-assembly and disassembly of pH-sensitive polymeric micelle with coating repair agent Wang XM, Gao JB, Wang ZK, Xu JC, Li CL, Sun SQ, Hu SQ
338 - 343	Halogen bonding with carbene bases Del Bene JE, Alkorta I, Elguero J
344 - 348	Adsorption of chloroform on N-doped and Al-doped graphene: A first-principle study Tian YL, Ren JF, Yue WW, Chen MN, Hu GC, Yuan XB
349 - 353	Thermal boundary resistance between the polycrystalline graphene and the amorphous SiO2 substrate Li T, Tang ZA, Huang ZX, Yu J
354 - 362	Exploring the geometrical and optical properties of neutral rhenium (I) tricarbonyl complex of 1,10-phenanthroline-5,6-diol using relativistic methods Carreno A, Solis-Cespedes E, Paez-Hernandez D, Arratia-Perez R
363 - 370	Electronic and magnetic properties of zigzag C2N-h2D nanoribbons: Edge and width effects Yu HL, Jiang XF, Cai MQ, Feng JF, Chen XS, Yang XF, Liu YS
371 - 376	A QM/MM study to investigate selectivity of nanoporous graphene membrane for arsenate and chromate removal from water Riyaz M, Goel N
377 - 384	On the role of different types of electron in double ring tubular clusters Duong LV, Nguyen MT
385 - 394	Combined effects of dopants and electric field on interactions of dopamine with graphene Wang Q, Wang MH, Lu X, Wang KF, Fang LM
395 - 400	Influence of endohedral confinement of atoms on structural and dynamical properties of the C-60 fullerene Etindele AJ, Maezono R, Melono RLM, Motapon O
401 - 409	Growth mechanism, dielectric, elastic and thermal properties of zinc cadmium thiocyanate crystal as a potential piezoelectric crystal Lu YD, Liu XT, Wang XQ, Gao ZL, Yin X, Yuan KK, Xu CH, Wang L, Zhang GH, Zhu LY, Xu D
410 - 415	A DFT investigation on geometry and chemical bonding of isoelectronic Si8N6V-, Si8N6Cr, and Si8N6Mn+ clusters Tam NM, Pham HT, Cuong NT, Tung NT
416 - 421	Hybrid visible-light responsive Al2O3 particles Dordevic V, Dostanic J, Loncarevic D, Ahrenkiel SP, Sredojevic DN, Svrakic N, Belic M, Nedeljkovic JM
422 - 426	Understanding the liquid-liquid (water-hexane) interface Murad S, Puri IK
427 - 431	Quantum stereodynamics of the O-18+(OO)-O-16-O-16 -> (OO)-O-16-O-18+O-16 exchange reaction at low collision energy Privat E, Guillon G, Honvault P
432 - 437	Beryllium and boron decoration form planar tetracoordinate carbon strips at the edge of BCN nanoribbons result in energy gap opposite variation and third-order nonlinear optical response improvement Zhang MY, Song JS, Lu QQ, Wei J, Wu P, Li CS
438 - 441	Novel surface adsorption behavior of liquid at the air-liquid interface Chen FW, Ren Q
442 - 450	Investigation of electronic band structure and charge transfer mechanism of oxidized three-dimensional graphene as metal-free anodes material for dye sensitized solar cell application Loeblein M, Bruno A, Loh GC, Bolker A, Saguy C, Antila L, Tsang SH, Teo EHT
451 - 456	Graphite oxide and molybdenum disulfide composite for hydrogen evolution reaction Niyitanga T, Jeong HK
457 - 464	In situ fabrication of nickel based oxide on nitrogen-doped graphene for high electrochemical performance supercapacitors Pan DH, Zhang MM, Wang Y, Yan ZX, Jing JJ, Xie JM
465 - 469	Magnetoelastic properties of terbium substituted cobalt ferrite Bhame SD, Joy PA
470 - 476	Spherical electric double layers containing mixed electrolytes: A case study for multivalent counterions Patra CN
477 - 481	An improved experimental scheme for simultaneous measurement of high-resolution zero electron kinetic energy (ZEKE) photoelectron and threshold photoion (MATI) spectra Michels F, Mazzoni F, Becucci M, Muller-Dethlefs K
482 - 489	Proposal for novel curcumin derivatives as potent inhibitors against Alzheimer's disease: Ab initio molecular simulations on the specific interactions between amyloid-beta peptide and curcumin Ota S, Fujimori M, Ishimura H, Shulga S, Kurita N
490 - 495	Benzene adsorption on two-dimensional silica films - Benzene on silicatene Nayakasinghe MT, Sivapragasam N, Burghaus U
496 - 503	Importance of the ligand basis set in ab initio thermochemical calculations of transition metal species Plascencia C, Wang JQ, Wilson AK
504 - 510	Interference effects in electron scattering from small water clusters Verkhovtsev A, Ellis-Gibbings L, Blanco F, Garcia G