Chemical Physics Letters

Chemical Physics Letters, Vol.706 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (120 articles)

1 - 6	Collision induced dissociation cross-section for high energy N-2-O-2 collisions Mankodi TK, Bhandarkar UV, Puranik BP
7 - 13	Direct synthesis of vanadium oxide nanopowders by the combustion approach Wu HY, Qin ML, Cao ZQ, Li XL, Jia BR, Chen PQ, Huang M, Qu XH
14 - 18	Thermal expansivity of gamma-irradiated clathrate hydrate with intracavity conformational change Ahn YH, Shin K, Lee JW
19 - 23	CCSDT(Q)/CBS thermochemistry for the D-5h -> D-10h isomerization in the C-10 carbon cluster: Getting the right answer for the right reason Karton A, Thimmakondu VS
24 - 30	A straightforward route to obtain organic/inorganic hybrid network from bio-waste: Electroless deposition of ZnO nanostructures on eggshell membranes Preda N, Costas A, Beregoi M, Enculescu I
31 - 39	Mechanical and fracture properties of hyperbranched polymer covalent functionalized multiwalled carbon nanotube-reinforced epoxy composites Wang LL, Tan YF, Wang XL, Xu T, Xiao CF, Qi ZH
40 - 46	The semi-empirical determination of KLL Auger, K-alpha 1 and K-alpha 2 X-ray line widths for sulfur atom in new 1,2,4-triazol compounds containing thiophene ring Aylikci NK, Sancak K, Aylikci V, Tirasoglu E, Unluer D, Depci T
47 - 52	Probing local structure of paramagnetic Ni-Al layered double hydroxides with solid-state H-2 NMR spectroscopy Yu GY, Hu FX, Huo H, Ding WP, Peng LM
53 - 61	Colorimetric sensing of Fe3+ ions in aqueous solution using magnesium oxide nanoparticles synthesized using green approach Jain A, Wadhawan S, Kumar V, Mehta SK
62 - 67	Enhancement of nonsequential double ionization in counter-rotating two-color circularly polarized laser fields Yu WW, Ben S, Ji L, Liu YS, Guo J, Liu XS
68 - 75	In-situ growth of ZnIn2S4 decorated on electrospun TiO2 nanofibers with enhanced visible-light photocatalytic activity Chen SS, Li SZ, Xiong LB, Wang GH
76 - 81	Effect of ionic liquid functionalized carbon nanotubes on mechanical, thermal and electrical properties of carbon nanotubes-reduced graphene oxide/PMMA nanocomposites Sa K, Mahakul PC, Nanda KK, Mahanandia P
82 - 86	Theoretical investigations of human acetylcholinesterase inhibition efficiency by neurotoxic organophosphorus compounds de Oliveira OV, Cuya T, Ferreira EC, Goncalves AD
87 - 92	Investigation of coriolis coupling effect on the ND plus D reaction Hekim S, Akpinar S
93 - 98	Atmospheric chemistry of E-CF3CH=CHCF3: Reaction kinetics of OH radicals and products of OH-initiated oxidation Qing FY, Guo Q, Chen L, Quan HD, Mizukado J
99 - 106	Investigation on the stability and electronic properties of Penta-XP5 (X = Al, Ga, In) monolayer semiconductors by using first principles calculations Naseri M
107 - 112	Direct observation of the effects of small-amplitude motions on C-13 nuclear shielding tensors by means of low-temperature 2D MAS NMR spectroscopy Carignani E, Borsacchi S, Concistre M, Johannessen OG, Geppi M
113 - 119	Electronic and magnetic properties of Fe2Sin (1 <= n <= 12)(+/0/) clusters Bista D, Reber AC, Chauhan V, Khanna SN
120 - 126	Outsized stochasticity of iodine oxidation with hydrogen peroxide and its implications on the reaction mechanism Stanisavljev DR, Stevanovic KZ, Bubanja INM
127 - 132	Electronic structure of coinage metal clusters M-20 (M = Cu, Ag, Au) from density functional calculations and the phenomenological shell model Nhat PV, Tai TB
133 - 139	Sulfur nanoparticles/disordered mesoporous carbon composite based on nanotemplates in-situ transformation route Pei HJ, Guo R, Guo WT, Liu W, Li Y, Xie JY, Zuo PJ, Yu SX
140 - 144	Post-epoxidation of graphene quantum dots Wang YM, Liu XQ, Kong WH, Wang LF, Li Y
145 - 150	Thermodynamic paths for calculating energy balance in systems containing nanoparticles Ashrafizadeh SA
151 - 157	Pressure-induced structural phase transition and dehydration for gypsum investigated by Raman spectroscopy and electrical conductivity Yang LF, Dai LD, Li HP, Hu HY, Zhuang YK, Liu KX, Pu C, Hong ML
158 - 163	Photophysical study of an alkaloid harmaline in 1,4-dioxane-water mixtures Sahoo R, Jana R, Seth D
164 - 169	One-step hydrothermal synthesis of MoNiCoS nanocomposite hybridized with graphene oxide as a high-performance nanocatalyst toward methanol oxidation Askari MB, Seifi M, Rozati SM, Beheshti-Marnani A, Zadeh MHR
170 - 174	DFT study of third-order nonlinear susceptibility of a chalcone crystal Valverde C, Osorio FAP, Fonseca TL, Baseia B
175 - 181	Clustering of highly oxidized organic acid with atmospheric NO3- and HSO4- ions and neutral species: Thermochemistry and implications to new particle formation Nadykto AB, Herb J, Yu FQ, Nazarenko KM
182 - 188	Unconventional critical behavior near the phase transition temperature and magnetocaloric effect in La0.5Ca0.4Ag0.1MnO3 compound Assoudi N, Smari M, Walha I, Dhahri E, Shevyrtalov S, Dikaya O, Rodionova V
189 - 195	Efficient lithium storage of concave graphitic anode embedded with nanoconfined silicon Jung S, Jung H
196 - 201	A new adsorption rate equation in batch system Hong YS, Kim CJ, Sin KR, Pak JS
202 - 207	Enhanced stability and induced magnetic moments of silicene by substitutional doping of nickel Li S, Ren JC, Ao ZM, Liu W
208 - 214	The formation of a direct Z-scheme Bi2O3/MoO3 composite nanocatalyst with improved photocatalytic activity under visible light Hu ZS, Zhou JB, Zhang Y, Liu W, Zhou J, Cai WQ
215 - 222	Specific dissociation of core-excited pyrimidine nucleobases Chiang YJ, Lin YS, Lin HR, Liu CL
223 - 227	Effects of A-site cation disordering on the transport properties of half-doping La0.5Ca0.5MnO3 manganites Shi JY, Zhang AM, Wang WX, Cui JY, Zhang WJ, Wu XS
228 - 236	On the hydration structure of the pro-drug GPG-NH2 and its derivatives Smith P, Steinke N, Turner JFC, McLain SE, Lorenz CD
237 - 242	First-principles molecular dynamics study of ionic structure and transport properties of LiF-NaF-AlF3 molten salt Lv XJ, Han ZX, Chen JG, Jiang LX, Xu ZM, Liu QS
243 - 246	W18O49 nanorods: Controlled preparation, structural refinement, and electric conductivity Zhang J, Zhang H, Liu LY, Li F, Wang S
247 - 254	Gas sensing properties of organotitanium complex from first principles calculations and molecular dynamics simulations Ingale N, Konda R, Chaudhari A
255 - 260	Study of single airborne particle using laser-trapped submicron position-resolved temporal Raman spectroscopy Kalume A, Wang C, Santarpia J, Pan YL
261 - 265	Template-engaged synthesis of macroporous tubular hierarchical alpha-Fe2O3 and its ultrafast transfer performance Tian P, Sun CX, Zhu PH, Pang HC, Gong WT, Ye JW, Ning GL
266 - 272	Thermally reduced graphite oxide and molybdenum disulfide composite for enhanced hydrogen evolution reaction Niyitanga T, Jeong HK
273 - 279	Fe7S8 nanoparticles attached carbon networks as anode materials for both lithium and sodium ion batteries Jiang FY, Wang Q, Du R, Yan XS, Zhou YL
280 - 284	Ab initio chemical kinetics of the CH2OO + C2F4 reaction Mai TVT, Duong MV, Nguyen HT, Lin KC, Huynh LK
285 - 294	Molecular modeling the adsorption behavior of bone morphogenetic protein-2 on hydrophobic and hydrophilic substrates Marquetti I, Desai S
295 - 302	Pesticidal compound Pirimicarb: Spectral analysis, DFT computations, molecular docking study and in vitro bioactivity Divya P, Muthuraja P, Dhandapani M, Jothy VB
303 - 307	Polarization effect within a protein crystal: A molecular dynamics simulation study Zhu TT, Wu C, Song JN, Reimers JR, Li YL
308 - 310	Exploring direct prediction of surface tension from COSMO-RS theory Gaudin T
311 - 316	Ce3+ and La3+ ions in ethylammonium nitrate: A XANES and molecular dynamics investigation Sessa F, Migliorati V, Lapi A, D'Angelo P
317 - 322	Energy level alignment and hole injection property of poly(9-vinylcarbazole)/indium tin oxide interface Jeong J, Lee J, Lee H, Hyun G, Park S, Yi Y, Cho SW, Lee H
323 - 327	A new accurate potential energy surface for HeTiO system and rotational quenching of TiO due to He collisions Zhou BY, He D, Chen MD
328 - 333	Empirical corrections and pair interaction energies in the fragment molecular orbital method Fedorov DG, Kromann JC, Jensen JH
334 - 337	Substituent effects on cyclometalation: N-benzylideneanilines Novak I, Klasinc L, McGlynn SP
338 - 342	Exchange interaction of O-2 and nitroxide radical encounter pair as studied by time-resolved near IR luminescence spectroscopy of O-2((1)Delta(g)) Kato M, Walker D, Yoshida T, Kawai A
343 - 347	Coupled cluster and density functional investigation of the neutral sodium-benzene and potassium-benzene complexes Ullah S, Denis PA, Sato F
348 - 354	Study on stepwise and concerted dissociation of CF2Br2 under electric field Duan YQ, Liu YZ, Li J, Zhang XY, Abulimiti B
355 - 359	Gas sensing properties of two-dimensional penta-BP5: A first-principle study Feng C, Qin HB, Luan XH, Kuang TF, Yang DG
360 - 366	Ternary classification models for predicting hormonal activities of chemicals via nuclear receptors Yan L, Zhang Q, Huang F, Nie WW, Hu CQ, Ying HZ, Dong XW, Zhao MR
367 - 370	Energy-transfer Er3+ to Eu3+ and frequency upconversion visible emission in PbGeO3: PbF2: CdF2 glass Soares ACC, Rego FG, Bueno LA, Gouveia-Neto AS
371 - 374	Improved rate coefficient expressions for the reaction of methyl bromide with OH and Cl radicals da Silva G
375 - 379	Solvent effect on multiple emission and ultrafast dynamics of higher excited states Das DK, Makhal K, Goswami D
380 - 382	Quantum defect asymptotics at the critical charge: A study of the integrality conjecture Sarsa A, Katriel J
383 - 387	Ring-polymer molecular dynamics study on rate coefficients of hydrogen abstraction of methane: A reduced-dimensional model Meng QY
388 - 392	Synthesis of manganese-doped silver selenide quantum dots with near-infrared photoluminescent and paramagnetic properties Zhang K, Feng JZ, Liu H
393 - 399	Probing the solid-liquid transition of thin propanol and butanol films through interactions with LiI Souda R
400 - 408	Exploring drug-resistant mechanisms of I84V mutation in HIV-1 protease toward different inhibitors by thermodynamics integration and solvated interaction energy method Gao Y, Zhu T, Chen JZ
409 - 414	Comparison of magnetic field effect and exciplex luminescence in pyrene-N, N,dimethylaniline system in acetone and methanol: Anomalous behavior in alcohols Mondal S, Nath DN
415 - 420	Activation mechanism of sodium percarbonate by FeOCl under visible-light-enhanced catalytic oxidation Chen MD, Xu HM, Wang Q, Li DY, Xia DS
421 - 425	Thermally reduced graphite oxide-titanium dioxide composites for supercapacitors Ghanashyam G, Jeong HK
426 - 431	First principles prediction of aqueous acidities of some benzodiazepine drugs Ghalami-Choobar B, Ghiami-Shomami A, Asadzadeh-Khanghah S
432 - 439	Solubility and transfer solvation thermodynamics of L-isoleucine and L-serine in water to aqueous solution of Na2SO4 and K2SO4 from 288.15 K to 303.15 K Chowdhury S, Mandal P, Islam MS, Hossain A, Guin PS, Roy S, Mahali K
440 - 447	One-step fabrication of carbon decorated Co3O4/BiVO4 p-n heterostructure for enhanced visible-light photocatalytic properties Zhao XX, Lu ZY, Ma W, Zhang MH, Ji R, Yi CW, Yan YS
448 - 454	Application of fractal entropies in atoms and molecules Flores-Gallegos N
455 - 460	Magnetic field triggered drug release from lipid microcapsule containing lipid-coated magnetic nanoparticles Bi HM, Han XJ
461 - 464	Hydrothermal synthesis of NaCa2Si3O8(OH) nanowires and its application in Fe(III) ions adsorption Zhang SY, Sun CH, Peng SJ, Li LL
465 - 471	Hollow chitosan nanocomposite as drug carrier system for controlled delivery of ramipril Basu T, Pal B, Singh S
472 - 476	Long lived-charge separation of ultrafast bimolecular electron transfer at PCE10 and fullerene interfaces Alsulami QA
477 - 482	Effect of anodic oxidation time on resistive switching memory behavior based on amorphous TiO2 thin films device Yu YM, Yang F, Mao SS, Zhu SH, Jia YF, Yuan L, Salmen M, Sun B
483 - 487	Facile fabrication and enhanced photocatalytic performance: From BiOCl to element-doped BiOCl Shang J, Chen TZ, Wang XW, Sun LY, Su QQ
488 - 493	The acid strength of the datively bound complexes involving AlF3 lone pair acceptor and various lone pair donors Rybacka O, Brzeski J, Anusiewicz I, Skurski P
494 - 500	Molecular dynamics and electronic structure study of neutral, cationic and anionic (Fe3O4)(1-5) clusters Mejia-Olvera R, Reveles JU, Pacheco-Ortin SM, Santoyo-Salazar J
501 - 508	Toxic gases molecules (NH3, SO2 and NO2) adsorption on GeSe monolayer with point defects engineering Mao YL, Long LB, Yuan JM, Zhong JX, Zhao HQ
509 - 514	Compositional control of the photocatalytic activity of Ga2O3 nanocrystals enabled by defect-induced carrier trapping Jin SS, Lu WH, Stanish PC, Radovanovic PV
515 - 519	Lipid tubes formation induced by electroosmotic flow Ghellab SE, Han XJ
520 - 524	A mathematical analysis of deviations from linearity of Beer's law Tolbin AY, Pushkarev VE, Tomilova LG
525 - 532	Silver nanoparticles loaded on ammonium exchanged zeolite as matrix for MALDI-TOF-MS analysis of short-chain n-alkanes Yang MR, Hashimoto K, Fujino T
533 - 537	Total electron scattering cross section from sevoflurane by 1-300 eV energy electron impact Lozano AI, da Silva FF, Blanco F, Limao-Vieira P, Garcia G
538 - 542	Towards microsolvation of fluorocarbons by CO2: Two isomers of fluoroethylene-(CO2)(2) observed using chirped-pulse Fourier-transform microwave spectroscopy Kannangara PB, West CT, Peebles SA, Peebles RA
543 - 547	Zwitterionic graphene oxide modified with two silane molecules for multiple applications Cui JC, Li J, Qiu HX, Yang GZ, Zheng SY, Yang JH
548 - 552	Quantum chemical study on the role of water in the reaction of singlet methoxysulfonyl nitrene CH3OS(O)(2)N Du B, Zhang WC
553 - 557	An inherent heat driven fuel exhaling hydrazine fuel cell Varhade S, Bhat ZM, Thimmappa R, Devendrachari MC, Kottaichamy AR, Khaire S, Shafi SP, Thotiyl MO
558 - 563	Rate coefficients of hydroxyl radical reaction with dimethyl ether over a temperature range of 257-333 K Kawade M, Sharma A, Srinivas D, Saha A, Upadhyaya HP, Kumar A, Naik PD
564 - 567	Direct observation of hydrogen bubble generation on photocatalyst particles by in situ electron microscopy Daio T, Narita I, Nandy S, Hisatomi T, Domen K, Suganuma K
568 - 576	A theoretical study on the phosgenation of methylene diphenyl diamine (MDA) Boros RZ, Koos T, Wafaa C, Nehez K, Farkas L, Viskolcz B, Szori M
577 - 585	Variations in chemical descriptors during reactions Vigneresse JL
586 - 593	Two-dimensional clusters from the self-assembly of oppositely charged particles Rodrigues SG, Pais AACC, Marques JMC
594 - 600	Comparison of the unfolding and oligomerization of human prion protein under acidic and neutral environments by molecular dynamics simulations Gao Y, Zhu T, Zhang CM, Zhang JZH, Mei Y
601 - 606	On the in-depth density distribution of layered assemblies of Au nanoparticles on planar interfaces Snegir SV, Artykulnyi OP, Petrenko VI, Krumova M, Kutsenko VY, Avdeev MV, Kasatkin IA, Bulavin LA
607 - 612	Magnetic circular dichroism (MCD) in silver nanocubes with different sizes Shiratsu T, Yao H
613 - 616	High-accuracy extrapolated ab initio thermochemistry of the NCN radical Harding ME, Olzmann M
617 - 624	Mixed micellization of an amphiphilic drug amitriptyline hydrochloride and surface active ionic liquids: Interfacial and micellization studies Pal A, Yadav A
625 - 632	Relativistic Jahn-Teller effect in triplet electronic states of tetrahedral molecules Osherov VI, Osherov MV, Poluyanov LV
633 - 640	Isokinetic approach in logarithmic mean-force dynamics for on-the-fly free energy reconstruction Morishita T, Nakamura T, Shinoda W, Ito AM
641 - 646	Band edge optical properties of defected MoS2 nanotubes Mokkath JH
647 - 651	Strengthening of photovoltaic and supercapacitive properties of graphene oxide-polyaniline composite by dispersion of alpha-Al2O3 nanoparticles Nemade K, Tekade P, Dudhe P
652 - 657	Picosecond dynamic of aqueous sodium-copper chlorophyllin solution: An excited state absorption study Sciuti LF, Cocca LHZ, Caires ARL, Goncalves PJ, de Boni L
658 - 664	Molecular dynamics simulation of thickening mechanism of supercritical CO2 thickener Xue P, Shi J, Cao XL, Yuan SL
665 - 668	Precise in situ photo-induced pH modulation during NMR spectrometry Dey S, Bielytskyi P, Grasing D, Das A, Kundu R, Matysik J, Maiti S, Madhu PK
669 - 674	Laser-induced fluorescence quenching of red fluorescent dyes with green excitation: Avoiding artifacts in PIE-FRET and FCCS analysis Baibakov M, Wenger J
675 - 679	Accurate integral cross sections for the H + CO2 -> OH plus CO reaction Sun P, Chen J, Liu S, Zhang DH
680 - 683	A molecular beam study of D-2 dissociation on Pt(111): Testing SRP-DFT calculations Cao K, van Lent R, Kleyn AW, Juurlink LBF
684 - 693	First principles study of structural, mechanical and electronic properties of the ternary alkali metal oxides KNaO and RbNaO Belghit R, Belkhir H, Heciri D, Bououdina M, Kadri MT, Ahuja R
694 - 701	Effect of electronic migration of MIL-53(Fe) on the activation of peroxymonosulfate under visible light Mei W, Li DY, Xu HM, Zan J, Sun L, Li Q, Zhang BY, Wang YF, Xia DS
702 - 707	Enhanced antibacterial properties of the bracket under natural light via decoration with ZnO/carbon quantum dots composite coating Zhang JX, An XL, Li XA, Liao XZ, Nie YY, Fan ZJ
708 - 714	Insight into mechanism of iron-oxides reduction in atmospheres of CH4 and CO Zubatiuk T, Hill G, Leszczynska D, Fan M, Rony AH, Leszczynski J
715 - 721	Foreign gas effect on the b(1)Sigma(+)(g) <- X-3 Sigma(-)(g) optical transition of molecular oxygen under high pressure conditions Kashihara W, Shoji A, Kawai A
722 - 728	Mesoscopic study of polymeric micelles with multiple lower critical solution temperatures: Micellar phase control by temperature effect Rodriguez-Hidalgo MD, Soto-Figueroa C, Guzman JLR, Meneses VM, Vicente L
729 - 735	Well-Tempered MetaDynamics based method to evaluate universal peptidomimetics Gandini E, Dapiaggi F, Oliva F, Pieraccini S, Sironi M
736 - 740	Infrared spectroscopy of Ca(NH3)(n) complexes Albaqami MD, Ellis AM
741 - 752	Single quantum dot tracking illuminates neuroscience at the nanoscale Kovtun O, Tomlinson ID, Bailey DM, Thal LB, Ross EJ, Harris L, Frankland MP, Ferguson RS, Glaser Z, Greer J, Rosenthal SJ