Chemical Physics Letters

Chemical Physics Letters, Vol.730 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (102 articles)

1 - 7	Enantioselective separation of bupropion and its major metabolite hydroxybupropion: An experimental and theoretical study Pires BC, Coelho JF, Silva CF, Dutra FVA, Guimaraes L, Nascimento CS, Borges KB
8 - 13	Fe-Co alloy nanoparticles supported on IR pyrolyzed chitosan as catalyst for Fischer-Tropsch synthesis Vasilev AA, Efimov MN, Bondarenko GN, Muratov DG, Dzidziguri EL, Ivantsov MI, Kulikova MV, Karpacheva GP
14 - 25	Strategical designing of diketopyrrolopyrrole-thiophene based donor-acceptor type organic oligomers and study their transport properties: A DFT/TD-DFT perspective Ahmed S, Dutta R, Kalita DJ
26 - 31	Quantum chemical calculations for the norbadione A complexes with Cs+, K+, and Na+ in gas and aqueous phases Suno H, Machida M
32 - 38	Nitrogen and oxygen co-doped hierarchical porous carbon for high performance supercapacitor electrodes Wang PZ, Luo WX, Guo NN, Wang LX, Jia DZ, Zhao ZB, Zhang S, Xu MJ
39 - 44	Effects of isomerization and concentration on the surface plasmon induced intermolecular hydrogen bonds enhancement of fluorobromobenzaldehydes Li J, Wang JY, Zhang MX, Song P, Li XD
45 - 53	Research on catalytic performance and mechanism of Cu2O in dark environment and visible light Xue RT, Fan XM, Liu Y, Li P, Liu Q, Liu F
54 - 59	A corrected CIS(D-infinity) method for valence and Rydberg excitation energies Wang XJ, Guo MG, Wang ZF, Wang F
60 - 63	Wet chemical surface smoothing method for improving surface passivation on monocrystalline silicon Ji FX, Zhou CL, Jia XJ, Gong L, Zhu JJ, Wang WJ
64 - 69	Effects of precursor molecules on polyyne formation by arc discharge between two copper electrodes Wu YL, Zhang YF, Zhu TX, Li HR, Liu Y, Zhao XL
70 - 75	Silicene nanosheet device with nanopore to identify the nucleobases - A first-principles perspective Chandiramouli R, Nagarajan V
76 - 83	Modulating mechanism of N-H-based excited-state intramolecular proton transfer by electron-withdrawing substituent at aromatic para-position Yang DP, Zhang QL, Song XY, Cheng SB
84 - 88	The pH-dependent electrostatic interaction of a metal nanoparticle with the MS2 virus-like particles Phan AD, Hoang TX
89 - 94	Specific monovalent cation effect on protein-protein interactions revealed by protein rotational diffusion analysis Kato A, Katsuki Y, Nishimoto E
95 - 99	The effect of preparation method on oxygen activation over Pt/TiO2 catalysts for toluene total oxidation Zeng YQ, Wang YN, Meng YH, Song FJ, Zhang SL, Zhong Q
100 - 104	Exploring the autoinhibition mechanism of the C-terminal guanine nucleotide exchange factor module of Trio through molecular dynamics simulations Zhang YX
105 - 111	Solvent-mediated phase transformation of C-60 crystals with well-defined hexagonal shape Yamamoto S, Funamori Y, Kaneda Y, Tanimura M, Tachibana M
112 - 116	Electron correlation in chemical bonds II. LiH and LiH+ Wetthasinghe ST, Rassolov VA
117 - 123	Fabrication and evaluation of K-doped MA(0.8)FA(0.1)K(0.1)PbI(3)(Cl) perovskite solar cells Machiba H, Oku T, Kishimoto T, Ueoka N, Suzuki A
124 - 129	Controlled synthesis of N-doped carbon microspheres from melamine-based carbon by chemical vapor deposition Wu F, Wang C, Hu HY, Pan M, Li HF, Xie N, Zeng ZL, Deng SG, Wu MH, Vinodgopal K, Dai GP
130 - 137	Detecting the photosensitization from fullerenes and their dyads with gold nanoparticles with singlet oxygen sensor green Dallas P, Velasco PQ, Lebedeva M, Porfyrakis K
138 - 140	Plastic deformation of diamond by mechanical twinning at temperatures significantly lower than Debye temperature Gordeeva T, Kulnitskiy B, Ovsyannikov D, Popov M, Blank V
141 - 146	Molecular wires formed from native and push-pull derivatives polypyrroles and beta-cyclodextrins: A HOMO-LUMO gap theoretical investigation Santos ES, Reis VS, Guimaraes L, Nascimento CS
147 - 152	Binding of histidine and proline with graphene: DFT study Daggag D, Dorlus T, Dinadayalane T
153 - 164	Application of Floquet-Magnus and Fer expansion approaches during spin-locking radiation in solid-state NMR Mananga ES
165 - 170	Theoretical investigation on the ozonolysis mechanism of (E)-2-formylcinnamaldehyde in the atmosphere Lei XY, Liu Y, Wang WN, Wang WL
171 - 178	A DFT plus U study of H2O adsorption on the V2O5(001) surface including van der Waals interactions Ranea VA
179 - 185	Implementation of state-averaged MCSCF method to RISM- and 3D-RISM-SCF schemes Okamoto D, Watanabe Y, Yoshida N, Nakano H
186 - 190	I2O in solution and volatility Furrow SD, Schmitz GE
191 - 197	Tuning the electronic properties of monolayer MoS2, MoSe2 and MoSSe by applying z-axial strain Guan XX, Zhu GJ, Wei XL, Cao JX
198 - 205	Preparation of layered Si materials as anode for lithium-ion batteries Gao RS, Tang J, Terabe K, Yu XL, Sasaki T, Hashimoto A, Asano K, Suzuki MA, Nakura K
206 - 212	Explanation of the role of hydrogen bonding in the structural preferences of small molecule conformers Wang LL, Azizi A, Xu TL, Kirk SR, Jenkins S
213 - 219	A generic method for determining R + O-2 rate parameters via OH regeneration Potter DG, Blitz MA, Seakins PW
220 - 226	Asymmetrical vibrational energy propagation through double or single bonds of small organic molecules. An ab-initio molecular dynamics study Mino-Galaz G, Gonzalez JM, Staforelli JP, Gutierrez G
227 - 233	Ring-polymer molecular dynamical benchmarks for X + H-2 insertion reactions Wang H, Fang JH, Yang H, Song JN, Li YL
234 - 238	Analytical dipole moments and dipole polarizabilities of doublet radicals using Cholesky representation of constrained variational linear response to Fock-space multi-reference coupled-cluster method with single and double substitutions Kumar D, Manohar PU
239 - 246	Exploration on surface and bulk properties of anionic surface active ionic liquid 1-butyl-3-methylimidazolium dodecylbenzenesulfonate and non-ionic polymer polyvinylpyrollidone Pal A, Maan R
247 - 252	Comparative study of the behavior of the prox reaction on a metallic catalyst and a copper-ceria catalyst. Monte Carlo simulations Cortes J, Valencia E, Araya P
253 - 258	A tunable photo-release mechanism of phototrigger compound varying the pH value and excitation wavelength Ma LS, Zhao Q, Zhang XR, Chen XB
259 - 265	Improved photocatalytic efficiency of titanium dioxide-hematite composite by air plasma Ibukun O, Jeong HK
266 - 270	The interface effect between ZIXLIB crystal surface and C-60: Strong charge-transfer (CT) vs weak CT state Yan BH, Chen LS, Wang H, Li JW, Zhao JF, Huang W
271 - 276	Synthesis and photovoltaic properties of alkylthiothiophene modified benzodithiophene polymer Cai FF, Li L, Zhu C, Li J, Peng HJ, Zou YP
277 - 282	Tailoring the electronic properties of graphyne/blue phosphorene heterostructure via external electric field and vertical strain Wang YS, Song NH, Yang XH, Zhang J, Xu B, Li M, Zheng YF, Yang DP
283 - 288	Optical regime diagram of the shock tube/pulsed laser-induced fluorescence imaging technique Mevel R
289 - 296	On the initial stages of lignin polymerization through spin-polarized density functional theory Navarro-Santos P, Rodriguez-Olalde NE, Gallo M, Vargas R, Garza J, Lopez-Albarran P
297 - 301	Effect of structure distortion and copper vacancy on ferromagnetism in hydrothermally synthesized CuO with aliovalent Cr3+ doping Lu P, Wu P, Wang JC, Ma XJ
302 - 305	Comment on "An equilibrium isotope effect due to a strong hydrogen bond" O'Leary DJ
306 - 311	Modification of beta-cyclodextrin-carbon nanotube-thermally reduced graphite oxide by using ambient plasma for electrochemical sensing of ascorbic acid Aryal KP, Jeong HK
312 - 315	Fluorescence properties of beta-perylene crystals prepared by a physical vapor transport method under atmospheric pressure Sato K, Katoh R
316 - 320	CO adsorption on Fe-doped vacancy-defected CNTs - A DFT study Liu Y, Zhang H, Zhang ZM, Jia XT, An LB
321 - 325	Sodium atom beam collisions with the liquid glycerol surface: Mass effects of deuteration Wiens JP, Alexander WA
326 - 331	Unraveling the intrinsic magnetic property of triangular zigzag edge bilayer graphene nanoflakes: A first-principles theoretical study Ge Y, Ji JL, Zhang Q, Yuan ZY, Wang RX, Zhang WD, Sang SB
332 - 339	Decomposition mechanism of the phenylaminyl C6H5N center dot H radical to propargyl and acetylene: A M06-2X, CBS-QB3 and G4 study Roohi H, Moghadam B
340 - 344	Nitrided TiO2 nanoparticles/nanotube arrays for better electrochemical properties Fan HW, Zhang SY, Zhu XF
345 - 353	Novel water-soluble, copolymer capped zinc oxide nanorods with high photocatalytic activity for degradation of organic pollutants from water Hekmatara SH, Mohammadi M, Haghani M
354 - 360	The role of precipitant in the preparation of lithium-rich manganese-based cathode materials Zhao TL, Ji RX, Meng Y
361 - 366	Tunable morphologies from solution self-assembly of diblock copolymers under nanoscale confinement Sheng YP, Chen C, Xia YQ, Gao C, Zhang XM
367 - 371	Molecular dynamics simulations of ferroelectricity in di-isopropyl-ammonium halide molecular crystals Huang YD, Hu PF, Song JN, Li YL, Stroppa A
372 - 377	Spin-orbit split ionized and electron-attached states using explicitly-correlated equation-of-motion coupled-cluster singles and doubles eigenvectors Bokhan D, Trubnikov DN, Perera A, Bartlett RJ
378 - 383	Quantum dynamics studies of the Na(3S) + HF and Na(3S/3P) + DF reactions: The effects of the initial rotational excitation and the isotopic substitution Yan W, Tan RS, Lin SY
384 - 390	Intense laser field effect on D-2(+) molecular complex localized in semiconductor quantum wells Suaza YA, Fulla MR, Laroze D, Baghramyan HM, Marin JH
391 - 398	Fabrication of carbon quantum dots/TiO2/Fe2O3 composites and enhancement of photocatalytic activity under visible light Zhang JJ, Kuang M, Wang J, Liu RR, Xie S, Ji ZJ
399 - 406	Chemical kinetic analysis of plasma excited methane combustion Wang SB, Yu JL, Cheng WD, Ma Y, Zheng RZ, Huang DQ, Wei QQ
407 - 410	Controlling aggregation using self-assembled axially coordinated pyridine-based ligands on porphyrin analogues for dye-sensitized solar cells Baptayev B, Lee SH, Kim DH, Balanay MP
411 - 415	Revisiting ultra-weak metal-metal bonding Rohman SS, Kashyap C, Ullah SS, Mazumder LJ, Sahu PP, Kalita A, Reza S, Hazarika PP, Borah B, Guha AK
416 - 425	Elucidation of the entire Kok cycle for photosynthetic water oxidation by the large-scale quantum mechanics/molecular mechanics calculations: Comparison with the experimental results by the recent serial femtosecond crystallography Shoji M, Isobe H, Shen JR, Suga M, Akita F, Miyagawa K, Shigeta Y, Yamaguchi K
426 - 435	Response of the DFT study to the calculations of selected microdissociation constants of anthranilic acid and its derivatives Kosinska M, Zapala L, Zapala W, Woznicka E
436 - 444	Facile synthesis of sulfur and nitrogen codoped graphene quantum dots for optical sensing of Hg and Ag ions Sharma E, Vashisht D, Vashisht A, Vats VK, Mehta SK, Singh K
445 - 450	Determination of the critical micelle concentration by absorbance and fluorescence techniques using fluorescein probe Salem JK, El-Nahhal IM, Salama SF
451 - 459	Nature and origin of gamma-gauche effect in sulfoxides: A density functional theory and information-theoretic approach study Wan B, Yu DH, Zhao DB, Rong CY, Liu SB
460 - 465	Simple preparation of ZnO superstructures self-assembled by hexagonal prisms and their superb catalytic activity in the pyrolysis of ammonium perchlorate Chai H, Li G, Xiang XQ, Hu XB
466 - 471	Exploring (NC)-C-center dot center dot center dot tetrel and (OS)-S-center dot center dot center dot chalcogen bonds in HN(CH)SX:OCS systems, for X = F, NC, Cl, CN, CCH, and H Del Bene JE, Alkorta I, Elguero J
472 - 477	Diagnostic study of argon and oxygen mixtures in dual-frequency capacitively coupled plasmas using quadrupole mass spectrometer Jiang XZ, Li WL, Wumaier TED, Yao HB
478 - 484	Nanostructured nickel phosphide as an efficient photocatalyst: Effect of phase on physical properties and dye degradation Farahi E, Memarian N
485 - 490	Photoinduced excited state dynamical behavior and ESIPT mechanism for 2-(2-hydroxy-3,5-dimethyl-phenyl)-benzooxazole-5-carboxylicacid molecule Zhang QL, Yang XH, Yang DP, Cheng SB
491 - 496	Study on disordered graphitic nanocarbon under pressure and their transformation into polycrystalline nanodiamond Zhu LY, Yao MG, Dong JJ, Hu K, Wang Y, Liu R, Shang YC, Kang ZH, Liu BB
497 - 505	The S-2 Rydberg series of the lithium atom. Calculations with all-electron explicitly correlated Gaussian functions Bralin A, Bubin S, Stanke M, Adamowicz L
506 - 512	The directional bonding of [1.1.1]propellane with next generation QTAIM Bin X, Xu T, Kirk SR, Jenkins S
513 - 520	First-principles study on the adsorption of hydrogen cyanide on the metal-doped (8,0) boron nitride nanotubes Zeng BL, Li W, Chen H, Li GQ
521 - 526	Study of structural stability of copper crystal with voids from molecular dynamics simulations Hazarika MP, Chakraborty SN
527 - 530	Dissociative electron attachment to 2-chlorotoluene: Unusual temperature effects for the formation of Cl- Mahmoodi-Darian M, Denifl S, Probst M, Huber SE, Mauracher A, Scheier P, Mark TD
531 - 537	Solvent effects on the spectroscopic properties of Damascone derivatives: A sequential Monte Carlo/Quantum Mechanics study de Almeida AR, Oliveira LBA, Colherinhas G
538 - 543	Dissociation of the ethyl formate radical cation: A computational mechanistic study Choe JC, Kim MH
544 - 550	Key factors in the stability of doped ZnSe:Mn@MPA semiconductor nanocrystals Liu L, Peng MM, Xia H, Li N
551 - 556	Theoretical study of the electronic structure and bonding of LaNH Bhattacharyya S, Harrison JF
557 - 561	Effect of sulfur dopant atoms on the electronic band gap and optical properties of tin iodide Chen JC, Wang GX, Wei JH, Guo YL
562 - 567	Aggregation behaviors of SDBSs at oil/water interface: Theoretical and experimental study Wu XL, Hou ZW, Wu GP, Sun JC, Zheng LQ
568 - 574	Specific photocatalytic reaction of p-methyl thiophenol and related molecules under the gap mode resonance Tabei K, Akai K, Futamata M
575 - 581	PtNi nanoparticles supported on electrochemically reduced porous graphene oxide for methanol oxidation reaction Wang Y, Yang JH, Sun S, Wang LN, Guo T, Zhang DX, Xue ZH, Zhou XB
582 - 586	A method to describe the shapes of UV-vis absorbance spectra during the aggregation process of conjugated polymer solutions quantitatively Zhao XY, Zhao K, Sun PQ
587 - 593	First-principles molecular dynamics investigation on KF-NaF-AlF3 molten salt system Guo H, Li J, Zhang HL, Li TS, Luo JW, Yu XY, Wu SY, Zong CX
594 - 599	Silica coating with well-defined micro-nano hierarchy for universal and stable surface superhydrophobicity Liu H, Geng W, Jin CJ, Wu SM, Lu Y, Hu J, Yu HZ, Chang GG, Zhao T, Wan Y, Luo ZQ, Tian G, Yang XY
600 - 607	Metal oxide nanoparticles as catalyst for thermal behavior of AN based composite solid propellant Vara JA, Dave PN
608 - 611	Surface affinity modulation of MoS2 by hydrothermal synthesis and its intermediary function in interfacial chemistry Huang QZ, Liu XH, Chen ZP, Gong S, Huang HL
612 - 616	Crystal structure and physical properties of a novel ternary compound La15MoxGe9 Blawat J, Xie WW, Cava RJ, Klimczuk T
617 - 622	Spectroscopic, DFT and trace detection study of procaine using surface-enhanced Raman scattering technique Abdulazeez I, Popoola SA, Saleha TA, Al-Saadi AA
623 - 629	Studies on performance of SiO addition to Li4Ti5O12 as anode material for lithium-ion batteries Xue B, Wang K, Tan Y, Li QL, Sun JM
630 - 633	Unimolecular dissociation of C6H6-C6F6 complex in N-2 bath and comparison with gas phase dynamics Ahamed SS, Mahanta H, Paul AK
634 - 637	Electron-induced proton transfer (EIPT) in 2-hydroxypyridine/2-pyridone tautomeric dimer anions: A photoelectron spectroscopic and density functional theory study Stokes ST, Vlk A, Wang Y, Martinez-Martinez C, Zhang XX, Bowen KH
638 - 642	Linear and femtosecond nonlinear optical properties of soluble pyrrolo[1,2-a] quinoxalines Biswas C, Krishnakanth KN, Lade JJ, Chaskar AC, Tripathi A, Chetti P, Soma VR, Raavi SSK
643 - 648	Effect of solvent on the electronic absorption spectral properties of Ni(II) and Cu(II)-complexes of some mixed beta-octasubstituted-meso-tetraphenylporphyrins Sankar M, Bhyrappa P
649 - 649	The Kohn-Sham density of states of liquid HCN: Tuning a long-range corrected exchange-correlation functional for predicting electron binding energies (vol 724, pg 96, 2019) Cabral BJC