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