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Volume 754
Main
Chemical Physics Letters
Volume 754
Chemical Physics Letters
Volume 754
1
Local potential energy: A novel QTAIM tool to quantify the binding energy of classical hydrogen bonds
Firme, Caio L.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 675 KB
Vos balises:
2020
2
Trajectories of electron vortices in photoionization by bichromatic co-rotating circularly polarized laser fields
Ji, Lei
,
Yu, Wei-Wei
,
Han, Si-Yu
,
Han, Yi-Fan
,
Zhen, Qi
,
Zhang, Si-Qi
,
Liu, Xue-Shen
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.44 MB
Vos balises:
2020
3
Pressure-induced charge transfer of Prussian blue analogues Cu0.64Mn0.86[Fe(CN)6]â nH2O
Liu, Min
,
Lu, Zeyi
,
Ding, Xiaotong
,
Chen, Haiwen
,
Guo, Zhuhui
,
Hu, Shengli
,
Xia, Yanfang
,
Xiao, Jingshui
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 622 KB
Vos balises:
2020
4
Magnetic properties of 3C-SiC nanowires doped by transition metal and vacancy
Su, Jianing
,
Yang, Ying
,
Zhang, Xuhui
,
Guo, Ping
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 2.61 MB
Vos balises:
2020
5
Self-focusing behaviour of dichlorobis(sarcosinato)zinc(II) complex investigated by DFT computations, fluorescence, laser damaged threshold and Z-scan technique
Chitrambalam, S.
,
Abraham, Sunila
,
Rastogi, V.K.
,
Hubert Joe, I.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 2.49 MB
Vos balises:
2020
6
Preparation of P-reduced graphene oxide composites by one-step hydrothermal method as stable electrode materials
Chen, Peng
,
Liu, Yanyue
,
Zhang, Weiyang
,
Shang, Jimin
,
Li, Zijiong
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.38 MB
Vos balises:
2020
7
Free radicals in organic semiconductors during photooxidation: Thin films of polymers P3HT and PCDTBT vs small molecules DRCN5T and BTR
Uvarov, Mikhail N.
,
Plekhanov, Mikhail S.
,
Zinoviev, Vladimir A.
,
Yanshole, Vadim V.
,
Fedin, Matvey V.
,
Kulik, Leonid V.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.17 MB
Vos balises:
2020
8
Engineering of cobalt sulfide (Co5S2) microcubes for selective catalytic hydrogenation of nitroarenes and enhanced calorific value of fuel
Mukhtar, Iqra
,
Ali, Sarmed
,
Jamil, Saba
,
urRehman, Shafiq
,
Rauf Khan, Shanza
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 5.21 MB
Vos balises:
2020
9
Large-scale synthesis of CH3NH3BF4 crystal and its application on CH3NH3PbBrx(BF4)(3-x) perovskite thin films
Yang, Lijun
,
Wu, Dongxue
,
Tang, Jun
,
Hao, Yawei
,
Wang, Jingchuan
,
Zhao, Xiaochong
,
Yang, Pan
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.06 MB
Vos balises:
2020
10
Calculations of electron transfer in the tris[4-(2-thienyl)phenyl]amineâC70 donor-acceptor system
Beu, Titus-Adrian
,
Bende, Attila
,
FarcaÅ, Alex-Adrian
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.68 MB
Vos balises:
2020
11
Structural, optical and photocatalytic properties of ZnS spherical/flake nanostructures by sugar-assisted hydrothermal process
Gajendiran, J.
,
Gnanam, S.
,
Vijaya Kumar, V.
,
Ramachandran, K.
,
Ramya, J. Ramana
,
Gokul Raj, S.
,
Sivakumar, N.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.56 MB
Vos balises:
2020
12
To the synthesis and characterization of layered metal phosphorus triselenides proposed for electrochemical sensing and energy applications
Dedkov, Yuriy
,
Yan, Mouhui
,
Voloshina, Elena
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 8.05 MB
Vos balises:
2020
13
Electronic structure, spectroscopic properties, and bonding in a thermodynamically stable transition metal-containing diatomic dication: The case of ScS2+
Romeu, João Gabriel Farias
,
Ornellas, Fernando R.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.37 MB
Vos balises:
2020
14
A theoretical investigation of different point charges combined with GAFF and OPLS-AA for acetic anhydride
Ponnuchamy, Veerapandian
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 930 KB
Vos balises:
2020
15
Performances of metals modified activated carbons for fluoride removal from aqueous solutions
Bakhta, Soumia
,
Sadaoui, Zahra
,
Lassi, Ulla
,
Romar, Henrik
,
Kupila, Riikka
,
Vieillard, Julien
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.63 MB
Vos balises:
2020
16
Physisorption of propane and butane vapors on novel Kagome antimonene sheets â A first-principles perception
Bhuvaneswari, R.
,
Nagarajan, V.
,
Chandiramouli, R.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 6.56 MB
Vos balises:
2020
17
Enhancing the photoluminescence of SnS quantum dots by ZnS treatment
Cheng, Huai-Yu
,
Acar, Ozgun
,
Shih, Wan Y.
,
Shih, Wei-Heng
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.86 MB
Vos balises:
2020
18
Penning ionization electron spectroscopy of anisole, thioanisole, and selenoanisole by collision with He*(23S): Conjugation effects and conformational stability
Ishiguro, Yuki
,
Yamakita, Yoshihiro
,
Hayashi, Naoto
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 3.72 MB
Vos balises:
2020
19
A density functional theory calculation on the geometrical structures and electronic properties of Ag19 under the oriented external electric field
Zhao, Yang
,
Chen, Jing
,
Yang, Huan
,
Wei, Qiang
,
Cheng, Shi-Bo
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.59 MB
Vos balises:
2020
20
On the search of small Cu-Ru atomically precise Superatoms. Cu10Ru cluster as a stable 18-ve endohedral structure
RodrÃguez-Kessler, P.L.
,
RodrÃguez-DomÃnguez, A.R.
,
Morato-Márquez, J.A.
,
Ortiz-Chi, Filiberto
,
MacLeod Carey, Desmond
,
Muñoz-Castro, Alvaro
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 831 KB
Vos balises:
2020
21
Molecular insights into catalytic specificity of α-L-rhamnosidase from Bacteroides thetaiotaomicron by molecular docking and dynamics
Li, Dong-Dong
,
Jiang, Yun-Peng
,
Wang, Zhen-Zhong
,
Xiao, Wei
,
Zhao, Lin-Guo
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 4.10 MB
Vos balises:
2020
22
How is a micelle formed from amphiphilic polymers in a dialysis process: Insight from mesoscopic studies
Feng, Yun Hao
,
Zhang, Xiao Peng
,
Li, Jun You
,
Guo, Xin Dong
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 3.83 MB
Vos balises:
2020
23
Electronic and electrical properties of two single-layer tetragonal silicon carbides
Houmad, M.
,
Dakir, O.
,
Mohammed, Mohammed H.
,
Khuili, M.
,
El Kenz, A.
,
Benyoussef, A.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.03 MB
Vos balises:
2020
24
Optimal cathodic imposed potential and appropriate catalyst for the synthesis of hydrogen peroxide in microbial electrolysis cell
Gupta, Ashutosh
,
Das, Sovik
,
Ghangrekar, M.M.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 693 KB
Vos balises:
2020
25
Engineered electronic properties of the spin-coated MAPI for hole-transport-free perovskite solar cell (HT-free PSC): Spinning time and PSC performance relationship
Mohammed, Mustafa K.A.
,
Al-Mousoi, Ali K.
,
Mehde, Mohammed S.
,
Al-Gebori, Abdulnasser M.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.74 MB
Vos balises:
2020
26
Effects of oxygen defects on electronic band structures and dopant migration in Sn-doped TiO2 by density functional studies
Yu, Xiaohui
,
Xie, Juan
,
Dong, Huilong
,
Liu, Qinqin
,
Li, Youyong
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.86 MB
Vos balises:
2020
27
Preparation of (Ti, Zr) co-doped hematite photoanode for enhanced photoelectrochemical water splitting
Sun, Zijun
,
Fang, Guisong
,
Li, Jinglin
,
Mo, Jiahuan
,
He, Xiong
,
Wang, Xu
,
Yu, Zhiqiang
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.75 MB
Vos balises:
2020
28
Effects of oxygen vacancy on the magnetic properties of Mn(II)-doped anatase TiO2
Zhou, Min
,
Wang, Yatong
,
Zhang, Yongjia
,
Sun, Li
,
Hao, Wentao
,
Cao, Ensi
,
Yang, Zhi
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.54 MB
Vos balises:
2020
29
Mechanistic insights of adenine promoted activity of low-molecule tyrosine phosphatase: An ONIOM study
Liu, Meili
,
Tan, Hongwei
,
Chen, Guangju
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 2.11 MB
Vos balises:
2020
30
Nephelauxetic effect and spin â Orbit interaction with Pm3+ and Ho3+ ions in crystals
Petrov, Dimitar N.
,
Angelov, B.M.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 552 KB
Vos balises:
2020
31
A DFT study of defects in SnO monolayer and their interaction with O2 molecule
Shukla, Aarti
,
Gaur, N.K.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.36 MB
Vos balises:
2020
32
In situ vacuum ellipsometry approach to investigation of glass transition behavior in ionic liquid thin films
Ishikawa, Yuki
,
Maruyama, Shingo
,
Matsumoto, Yuji
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.52 MB
Vos balises:
2020
33
Fast fragmentation during surface-induced dissociation: An examination of peptide size and structure
Barnes, George L.
,
Shlaferman, Amanda
,
Strain, Monica
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 272 KB
Vos balises:
2020
34
Preparation of Ba-doped SrTiO3 photocatalyst by sol-gel method for hydrogen generation
Hussain, Tanvir
,
Junaid, M.
,
Qayyum, H.A.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.30 MB
Vos balises:
2020
35
The phase space mechanism for selectivity in a symmetric potential energy surface with a post-transition-state bifurcation
Agaoglou, M.
,
GarcÃa-Garrido, V.J.
,
Katsanikas, M.
,
Wiggins, S.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 2.08 MB
Vos balises:
2020
36
Hybrid 3D SERS substrate for Raman spectroscopy
Li, Rui
,
Lei, Jia
,
Zhou, Yi
,
Li, Hong
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.89 MB
Vos balises:
2020
37
La3+ as impurity ions for the synthesis of β-NaLuF4 nanocrystals with high luminance and small size
Li, Yangyang
,
Zhang, Yue
,
Zhang, Li
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.57 MB
Vos balises:
2020
38
Theoretical study on the Al-doped biphenylene nanosheets as NO sensors
Hosseini, Mohammad Reza
,
Esfandiarpour, Razieh
,
Taghipour, Sajad
,
Badalkhani-Khamseh, Farideh
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 4.05 MB
Vos balises:
2020
39
Identification of potential inhibitors of SARS-CoV-2 main protease from Aloe vera compounds: A molecular docking study
Mpiana, Pius T.
,
Ngbolua, Koto-te-Nyiwa
,
Tshibangu, Damien S.T.
,
Kilembe, Jason T.
,
Gbolo, Benjamin Z.
,
Mwanangombo, Domaine T.
,
Inkoto, Clement L.
,
Lengbiye, Emmanuel M.
,
Mbadiko, Clement M.
,
Matondo
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 3.18 MB
Vos balises:
2020
40
On the theoretical construction of Nb2N2-based superatoms by external field strategies
Li, Jun
,
Zhao, Yang
,
Bu, Yu-Fei
,
Chen, Jing
,
Wei, Qiang
,
Cheng, Shi-Bo
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.21 MB
Vos balises:
2020
41
Effect of ferric chloride concentration on the surface micro-nano structure and superhydrophobic property of filter paper
Yin, Zuozhu
,
Xue, Mingshan
,
Ji, Yuwei
,
Luo, Yidan
,
Hong, Zhen
,
Xie, Chan
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.48 MB
Vos balises:
2020
42
Cobalt/nickel oxide nanosheet arrays for electrocatalytic water oxidation: Size modulation, composition/phase control, and surface decoration
Chen, Yina
,
Sun, Zhongxing
,
Wu, Jin-Ming
,
Jiang, Rui
,
Yang, Peng
,
Gu, Yijie
,
Liu, Weifeng
,
Wu, Jingjin
,
Wen, Wei
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 2.81 MB
Vos balises:
2020
43
The enhancement of nonlinear absorption of Ag thin film on laser induced defective MoOx buffer layer
Li, Zhengwang
,
Hong, Ruijin
,
Liu, Tingting
,
Wang, Qi
,
Tao, Chunxian
,
Lin, Hui
,
Zhang, Dawei
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 2.64 MB
Vos balises:
2020
44
Carbon isotope effects in the artificial photosynthesis reactions catalyzed by nanostructured Co/CoO
Zeng, Ming
,
Kan, Zhe
,
Wang, Zibo
,
Shen, Mengyan
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.12 MB
Vos balises:
2020
45
Electronic structure and bonding of the ScNH and YNH molecules
Bhattacharyya, Soumen
,
Harrison, James F.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.03 MB
Vos balises:
2020
46
Polypeptide-assisted hydrothermal synthesis of ZnO for room temperature NO2 gas sensor under UV illumination
Feng, Chao
,
Wen, Fei
,
Ying, Zhihua
,
Li, Lili
,
Zheng, Xiaolong
,
Zheng, Peng
,
Wang, Gaofeng
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 3.43 MB
Vos balises:
2020
47
Theoretical assessment of the differences in transition metal embedded fullerene-like Ga12N12 clusters
Zhao, Zhen
,
Li, Zhi
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 792 KB
Vos balises:
2020
48
Synthesis and characterization of novel Cu (II) and Zn (II) complexes of 5-{[(2-Hydroxyethyl) sulfanyl] methyl}-8-hydroxyquinoline as effective acid corrosion inhibitor by experimental and computational testings
Rbaa, M.
,
Benhiba, F.
,
Galai, M.
,
Abousalem, Ashraf S.
,
Ouakki, M.
,
Lai, Chin-Hung
,
Lakhrissi, B.
,
Jama, C.
,
Warad, I.
,
Ebn Touhami, M.
,
Zarrouk, A.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 4.48 MB
Vos balises:
2020
49
Solute- and concentration-dependent heterogeneous ice nucleation behaviors in AgI composite water droplets
Ogawa, Shigesaburo
,
Osanai, Shuich
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 970 KB
Vos balises:
2020
50
Theoretical study of selective hydrogenolysis of methyl vinyl carbinol over Au-Ni bimetallic catalyst: Toward constructing a working hypothesis for the role of dichloroethane solvent and perimeter sites
Ato, Yoshinori
,
Hayashi, Akihide
,
Sonoura, Ayaka
,
Koga, Hiroaki
,
Ishida, Tamao
,
Tokunaga, Makoto
,
Okumura, Mitsutaka
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 2.33 MB
Vos balises:
2020
51
The kinetics and thermodynamics investigation of lithium extraction from brine by TBP using Lewis cell technique
Li, Hui-fang
,
Li, Li-juan
,
Li, Wu
,
Ji, Lian-min
,
Zhu, Dong-hai
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 667 KB
Vos balises:
2020
52
Experimental and computer simulation investigations of ethyl red with modified β-cyclodextrins: Inclusion mechanism and structure characterization
Zhao, Ludan
,
Sun, Qiaomei
,
Pu, Hongyu
,
Tang, Peixiao
,
Liu, Yuanyuan
,
Li, Muxue
,
Ren, Xiuyun
,
Li, Hui
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 2.78 MB
Vos balises:
2020
53
CCSD(T)-F12 calculations of the IR spectrum of cyanoacetylene HC3N beyond the harmonic approximation
Dargelos, Alain
,
Pouchan, Claude
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 270 KB
Vos balises:
2020
54
On the dual aromaticity and external field induced superhalogen modulation of the AuSc2 cluster: A computational study
Wang, Jing
,
Chen, Jing
,
Wei, Qiang
,
Cheng, Shi-Bo
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.19 MB
Vos balises:
2020
55
The key factors and mechanism study on lithium extraction by TBP-FeCl3 extraction system
Li, Hui-fang
,
Li, Li-juan
,
Li, Wu
,
Zhou, Yong-quan
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.59 MB
Vos balises:
2020
56
Branching ratios of electronic quenching of atomic sulfur S(3p34p 3P ) by collisions with N2
Kawabata, Daigo
,
Tendo, Shogo
,
Tanimoto, Yuki
,
Fukami, Rintaro
,
Kohguchi, Hiroshi
,
Yamasaki, Katsuyoshi
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.94 MB
Vos balises:
2020
57
Non-covalent interactions of hydrogen cyanide and acetonitrile with the quinoline radical cation via ionic hydrogen bonding
Mason, Kyle A.
,
Pearcy, Adam C.
,
Lao, Ka Un
,
Christensen, Zachary A.
,
El-Shall, M. Samy
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.12 MB
Vos balises:
2020
58
First principles study of the vibronic coupling in positively charged
Huang, Zhishuo
,
Liu, Dan
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.63 MB
Vos balises:
2020
59
Tuning the branching ratio in a symmetric potential energy surface with a post-transition state bifurcation using external time dependence
GarcÃa-Garrido, V.J.
,
Katsanikas, M.
,
Agaoglou, M.
,
Wiggins, S.
Journal:
Chemical Physics Letters
Année:
2020
Fichier:
PDF, 1.91 MB
Vos balises:
2020
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