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Volume 685

Chemical Physics Letters

Volume 685

1

Computational search for aflatoxin binding proteins

Wang, Ying, Liu, Jinfeng, Zhang, Lujia, He, Xiao, Zhang, John Z.H.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 923 KB

english, 2017

2

Mean field treatment of heterogeneous steady state kinetics

Geva, Nadav, Vaissier, Valerie, Shepherd, James, Van Voorhis, Troy

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 569 KB

english, 2017

3

Phosphorene quantum dot-fullerene nanocomposites for solar energy conversion: An unexplored inorganic-organic nanohybrid with novel photovoltaic properties

Rajbanshi, Biplab, Kar, Moumita, Sarkar, Pallavi, Sarkar, Pranab

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 719 KB

english, 2017

4

Solvent dependence of cyanoindole fluorescence lifetime

Hilaire, Mary Rose, Mukherjee, Debopreeti, Troxler, Thomas, Gai, Feng

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 839 KB

english, 2017

5

Indications of hard-soft-acid-base interactions governing formation of ultra-small (r < 3 nm) digestively ripened copper oxide quantum-dots

Talluri, Bhusankar, Thomas, Tiju

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.73 MB

english, 2017

6

The effects of Co/N dopants on the electronic, redox potential, optical, and photocatalytic water-splitting properties of TiO 2 : First principles calculations

Zhao, Yafei, Wang, Wei, He, Liang

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.57 MB

english, 2017

7

Comparative study of conduction-band and valence-band edges of TiO 2 , SrTiO 3 , and BaTiO 3 by ionization potential measurements

Fujisawa, Jun-ichi, Eda, Takumi, Hanaya, Minoru

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.25 MB

english, 2017

8

Insights into the all-metal [Sb 3 Au 3 Sb 3 ] 3− sandwich complex from a QTAIM and stress tensor analysis

Wang, Lingling, Ping, Yang, Momen, Roya, Azizi, Alireza, Xu, Tianlv, Rodríguez, Juan I., Anderson, James S.M., Kirk, Steven R., Jenkins, Samantha

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.05 MB

english, 2017

9

An automated and efficient conformation search of l -cysteine and l,l -cystine using the scaled hypersphere search method

Kishimoto, Naoki, Waizumi, Hiroki

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.23 MB

english, 2017

10

Kinetics and mechanism of the reaction of recombination of vinyl and hydroxyl radicals

Knyazev, Vadim D.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 870 KB

english, 2017

11

Versatile gold based SERS substrates fabricated by ultrafast laser ablation for sensing picric acid and ammonium nitrate

Byram, Chandu, Moram, Sree Sathya Bharathi, Shaik, Abdul Kalam, Soma, Venugopal Rao

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.60 MB

english, 2017

12

Dissociative ionization of CH 2 Br 2 in 800 and 400 nm femtosecond laser fields

Zhang, Jian, Yang, Yan, Li, Zhipeng, Sun, Zhenrong

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.40 MB

english, 2017

13

An electrochemical immunosensor based on pristine graphene for rapid determination of ractopamine

Qi, Shaopeng, Zhao, Bo, Zhou, Bo, Jiang, Xiaoqing

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 779 KB

english, 2017

14

Preparation of TiO 2 /Ag binary nanocomposite as high-activity visible-light-driven photocatalyst via graft polymerization

Tae Park, Jung, Soo Lee, Chang, Hun Park, Cheol, Hak Kim, Jong

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.19 MB

english, 2017

15

Synthesis, electronic structure and luminescent properties of a new red-emitting phosphor GdBiW 2 O 9 :Eu 3+

Xie, Zhi, Zhou, Weiwei, Zhao, Wang, Zhang, Hao, Hu, Qichang, Xu, Xuee

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 2.12 MB

english, 2017

16

Diels-Alder addition to H 2 O@C 60 an electronic and structural study

Reveles, J. Ulises, Govinda, K.C., Baruah, Tunna, Zope, Rajendra R.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.58 MB

english, 2017

17

Impact of CH 3 NH 3 PbI 3 -PCBM bulk heterojunction active layer on the photovoltaic performance of perovskite solar cells

Chaudhary, Dhirendra K., Kumar, Pankaj, Kumar, Lokendra

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.32 MB

english, 2017

18

Study of the dynamics and isotopic effects in the D + MgD reaction using the quasi-classical trajectory method

Huang, Zhuoyao, Li, Rui, Ge, Meihua, Zheng, Yujun, Meng, Xiangjia, Yang, Huan

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 4.57 MB

english, 2017

19

Energetics of the contact minimum configuration of two hard spheres in water

Graziano, Giuseppe

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 443 KB

english, 2017

20

Triiodide and mixed tri-halide anions from negative ion electrospray ionization of alkali halide solutions

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.06 MB

english, 2017

21

Synthesis and luminescent properties of Eu 3+ , Eu 3+ /Bi 3+ and Gd 3+ codoped YAG:Ce 3+ phosphors and their potential applications in warm white light-emitting diodes

Yang, Yuguo, Li, Jing, Liu, Bing, Zhang, Yuanyuan, Lv, Xianshun, Wei, Lei, Wang, Xuping, Xu, Jianhua, Yu, Huajian, Hu, Yanyan, Zhang, Huadi, Ma, Ling, Wang, Jiyang

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.46 MB

english, 2017

22

Ag-protein plasmonic architectures for surface plasmon-coupled emission enhancements and Fabry-Perot mode-coupled directional fluorescence emission

Badiya, Pradeep Kumar, Patnaik, Sai Gourang, Srinivasan, Venkatesh, Reddy, Narendra, Manohar, Chelli Sai, Vedarajan, Raman, Mastumi, Noriyoshi, Belliraj, Siva Kumar, Ramamurthy, Sai Sathish

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.35 MB

english, 2017

23

Estimation of thermodynamic parameters for Au- and Mg-based metallic glasses

Gaur, Jitendra, Mishra, R.K.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.97 MB

english, 2017

24

Super-spiral structures of bi-stable spiral waves and a new instability of spiral waves

Gao, Jian, Wang, Qun, Lü, Huaping

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 4.40 MB

english, 2017

25

Analytical nuclear derivatives for the parametric two-electron reduced density matrix method

Valentine, Andrew J.S., Mazziotti, David A.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 733 KB

english, 2017

26

Isomerization of the RPSB chromophore in the gas phase along the torsional pathways using QTAIM

Ping, Yang, Xu, Tianlv, Momen, Roya, Azizi, Alireza, Kirk, Steven R., Filatov, Michael, Jenkins, Samantha

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.42 MB

english, 2017

27

An optical investigation of nano-crystalline CaF 2 particles doped with Nd 3+ ions

O'Dwyer, C., James, H.J., Cheu, B., Jaque, F., Han, T.P.J.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.29 MB

english, 2017

28

A practical law to predict the appearance sizes of multiply charged rare-gas and molecular clusters

Bonhommeau, David A.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 977 KB

english, 2017

29

Molecular dynamics study on mechanism of preformed particle gel transporting through nanopores: Surface chemistry and heterogeneity

Cui, Peng, Zhang, Heng, Ma, Ying, Hao, Qingquan, Liu, Gang, Sun, Jichao, Yuan, Shiling

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.93 MB

english, 2017

30

Observation of temperature-dependent kinetics for catalytic CO oxidation over TiO 2 -supported Pt catalysts

Yu, Xiaomei, Wang, Yunfei, Kim, Ansoon, Kim, Yu Kwon

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 974 KB

english, 2017

31

Exploiting sparsity in free energy basin-hopping

Sutherland-Cash, Kyle H., Mantell, Rosemary G., Wales, David J.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 787 KB

english, 2017

32

-symmetry

Il’ichov, L.V.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 853 KB

english, 2017

33

Adsorption of chloroform on N-doped and Al-doped graphene: A first-principle study

Tian, Y.L., Ren, J.F., Yue, W.W., Chen, M.N., Hu, G.C., Yuan, X.B.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 862 KB

english, 2017

34

A QM/MM study to investigate selectivity of nanoporous graphene membrane for arsenate and chromate removal from water

Riyaz, Mohd, Goel, Neetu

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.25 MB

english, 2017

35

Hybrid visible-light responsive Al 2 O 3 particles

Ðorđević, Vesna, Dostanić, Jasmina, Lončarević, Davor, Ahrenkiel, S. Phillip, Sredojević, Dušan N., Švrakić, Nenad, Belić, Milivoj, Nedeljković, Jovan M.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.44 MB

english, 2017

36

Spherical electric double layers containing mixed electrolytes: A case study for multivalent counterions

Patra, Chandra N.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 448 KB

english, 2017

37

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, Shintaro, Fujimori, Mitsuki, Ishimura, Hiromi, Shulga, Sergiy, Kurita, Noriyuki

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 2.24 MB

english, 2017

38

Understanding the liquid–liquid (water–hexane) interface

Murad, Sohail, Puri, Ishwar K.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.09 MB

english, 2017

39

Editorial Board

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 30 KB

english, 2017

40

Contents

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 5.81 MB

english, 2017

41

In situ fabrication of nickel based oxide on nitrogen-doped graphene for high electrochemical performance supercapacitors

Pan, Denghui, Zhang, Mingmei, Wang, Ying, Yan, Zaoxue, Jing, Junjie, Xie, Jimin

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.58 MB

english, 2017