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Volume 669
Main
Chemical Physics Letters
Volume 669
Chemical Physics Letters
Volume 669
1
High pressure infrared spectroscopy study on C60∗CS2 solvates
Du, Mingrun
,
Zhou, Miao
,
Yao, Mingguang
,
Ge, Peng
,
Chen, Shuanglong
,
Yang, Xigui
,
Liu, Ran
,
Liu, Bo
,
Cui, Tian
,
Sundqvist, Bertil
,
Liu, Bingbing
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.05 MB
Vos balises:
english, 2017
2
Size-controlled synthesis of Cu2O nanoparticles via reaction-diffusion
Badr, Layla
,
Epstein, Irving R.
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.07 MB
Vos balises:
english, 2017
3
Electronic and vibrational properties of transition metal-oxides: Comparison of GGA, GGA+U, and hybrid approaches
Pandey, Sumeet C.
,
Xu, Xu
,
Williamson, Izaak
,
Nelson, Eric B.
,
Li, Lan
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 12.59 MB
Vos balises:
english, 2017
4
Photoluminescence dynamics in singlet fission chromophore liquid melts
Piland, Geoffrey B.
,
Bardeen, Christopher J.
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.10 MB
Vos balises:
english, 2017
5
The power of exact conditions in electronic structure theory
Bartlett, Rodney J.
,
Ranasinghe, Duminda S.
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 2.26 MB
Vos balises:
english, 2017
6
Polyoxomolybdate formation – A thermodynamic analysis from density functional/PCM calculations
Steffler, Fernando
,
de Lima, Guilherme Ferreira
,
Duarte, Hélio Anderson
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 684 KB
Vos balises:
english, 2017
7
Studying the effects of the configuration of doped Al atoms on the conductive properties of boron nitride nanotube using density functional theory
Tavangar, Zahra
,
Hamadanian, Masood
,
Basharnavaz, Hadi
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.84 MB
Vos balises:
english, 2017
8
Physiochemical charge stabilization of silver nanoparticles and its antibacterial applications
Vanitha, G.
,
Rajavel, K.
,
Boopathy, G.
,
Veeravazhuthi, V.
,
Neelamegam, P.
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.04 MB
Vos balises:
english, 2017
9
Molecular dynamics study on core-shell structure stability of aluminum encapsulated by nano-carbon materials
Yi, Qingwen
,
Xu, Jingcheng
,
Liu, Yi
,
Zhai, Dong
,
Zhou, Kai
,
Pan, Deng
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.06 MB
Vos balises:
english, 2017
10
Cyanide anion sensing mechanism of 1,3,5,7-tetratolyl aza-BODIPY: Intramolecular charge transfer and partial configuration change
Bhat, Haamid R.
,
Jha, Prakash C.
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 2.55 MB
Vos balises:
english, 2017
11
Approximate quantum trajectory approach to the Schrödinger-Langevin equation for barrier transmission
Chou, Chia-Chun
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.35 MB
Vos balises:
english, 2017
12
An investigation on dispersion and stability of water‐soluble fullerenol (C60OH) in water via UV–Visible spectroscopy
Najafi, Abolhassan
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.31 MB
Vos balises:
english, 2017
13
Laser-induced fluorescence spectroscopy of TaN in free-jet: Observation of high-lying excited electronic states
Nakhate, S.G.
,
Mukund, Sheo
,
Bhattacharyya, Soumen
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 854 KB
Vos balises:
english, 2017
14
t-C8B2N2: A potential superhard material
Wang, Dong
,
Shi, Rui
,
Gan, Li-Hua
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 850 KB
Vos balises:
english, 2017
15
The effect of urea on microstructures of tin dioxide grown on Ti plate and its supercapacitor performance
Jinlong, Lv
,
Meng, Yang
,
Miura, Hideo
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 831 KB
Vos balises:
english, 2017
16
Incorporation of quaternary ammonium salts containing different counterions to improve the performance of inverted perovskite solar cells
Yan, Po-Ruei
,
Huang, Wei-Jie
,
Yang, Sheng-Hsiung
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.16 MB
Vos balises:
english, 2017
17
Transportation of MHD nanofluid free convection in a porous semi annulus using numerical approach
Sheikholeslami, M.
,
Ganji, D.D.
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.50 MB
Vos balises:
english, 2017
18
Ultrafast ring-closing reaction dynamics of a photochromic furan-based difurylethene
Khodko, A.
,
Khomenko, V.
,
Shynkarenko, Y.
,
Mamuta, O.
,
Kapitanchuk, O.
,
Sysoiev, D.
,
Kachalova, N.
,
Huhn, T.
,
Snegir, S.
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 150 KB
Vos balises:
english, 2017
19
Electrochemical properties of poly(vinyl alcohol) and graphene oxide composite for supercapacitor applications
Theophile, Niyitanga
,
Jeong, Hae Kyung
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 754 KB
Vos balises:
english, 2017
20
Non-Born-Oppenheimer calculations of the rovibrational spectrum of H2 excited to the second rotational level
Jones, Keith
,
Formanek, Martin
,
Adamowicz, Ludwik
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 832 KB
Vos balises:
english, 2017
21
Heterodiffusion of Ag adatoms on imperfect Au(110) surfaces
El koraychy, E.
,
Sbiaai, K.
,
Mazroui, M.
,
Ferrando, R.
,
Boughaleb, Y.
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.10 MB
Vos balises:
english, 2017
22
Cooperative coupling of the Li cation and groups to amplify the charge transfer between C60 and corannulene
Sun, Gang
,
Xu, Jing
,
Chen, Zhi-Yuan
,
Lei, E.
,
Liu, Xiang-Shuai
,
Liu, Chun-Guang
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.14 MB
Vos balises:
english, 2017
23
How to characterize thermal transport capability of 2D materials fairly? – Sheet thermal conductance and the choice of thickness
Wu, Xufei
,
Varshney, Vikas
,
Lee, Jonghoon
,
Pang, Yunsong
,
Roy, Ajit K.
,
Luo, Tengfei
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.70 MB
Vos balises:
english, 2017
24
Complete spin contamination-free MP2 method
Nishida, Manami
,
Lim, Fang-Han
,
Hori, Yuta
,
Ida, Tomonori
,
Mizuno, Motohiro
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 562 KB
Vos balises:
english, 2017
25
Atmospheric oxidation of carbon disulfide (CS2)
Zeng, Zhe
,
Altarawneh, Mohammednoor
,
Dlugogorski, Bogdan Z.
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.37 MB
Vos balises:
english, 2017
26
Electric properties of the 3-methyl-4-nitropyridine-1-oxyde (POM) molecules in solid phase: A theoretical study including environment polarization effect
Santos, O.L.
,
Sabino, J.R.
,
Georg, H.C.
,
Fonseca, T.L.
,
Castro, M.A.
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 484 KB
Vos balises:
english, 2017
27
Microwave synthesis of non-crystalline BCNO phosphors using thiourea as nitrogen source and their tunable luminescence
Chen, Jingjing
,
Zhao, Yang
,
Mao, Zhiyong
,
Wang, Dajian
,
Bie, Lijian
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.39 MB
Vos balises:
english, 2017
28
Theoretical studies on atmospheric chemistry of HFE-245mc and perfluoro-ethyl formate: Reaction with OH radicals, atmospheric fate of alkoxy radical and global warming potential
Lily, Makroni
,
Baidya, Bidisha
,
Chandra, Asit K.
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.08 MB
Vos balises:
english, 2017
29
Interactions of hypericin with a model mutagen – Acridine orange analyzed by light absorption and fluorescence spectroscopy
Pietrzak, Monika
,
Szabelski, Mariusz
,
Kasparek, Adam
,
Wieczorek, Zbigniew
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 484 KB
Vos balises:
english, 2017
30
Comment on a spurious prediction of a non-planar geometry for benzene at the MP2 level of theory
Samala, Nagaprasad Reddy
,
Jordan, Kenneth D.
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 222 KB
Vos balises:
english, 2017
31
Speciation of uranium and doping induced defects in Gd1.98U0.02Zr2O7: Photoluminescence, X-ray photoelectron and positron annihilation lifetime spectroscopy
Gupta, Santosh K.
,
Reghukumar, C.
,
Pathak, Nimai
,
Sudarshan, K.
,
Tyagi, D.
,
Mohapatra, M.
,
Pujari, P.K.
,
Kadam, R.M.
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.31 MB
Vos balises:
english, 2017
32
Acid-induced crystallinity enhancement of graphite-like C3N3+xHy synthesized through a facile one-pot approach
Yin, Hao
,
Guo, Qixun
,
He, Dingzeng
,
Li, Juntao
,
Sun, Shigang
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 2.42 MB
Vos balises:
english, 2017
33
Spontaneous assembly of HSP90 inhibitors at water/octanol interface: A molecular dynamics simulation study
Zolghadr, Amin Reza
,
Boroomand, Samaneh
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 2.83 MB
Vos balises:
english, 2017
34
Theoretical modeling of the absorption spectrum of aqueous riboflavin
Zanetti-Polzi, Laura
,
Aschi, Massimiliano
,
Daidone, Isabella
,
Amadei, Andrea
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 744 KB
Vos balises:
english, 2017
35
Rayleigh-Brillouin scattering in SF6 in the kinetic regime
Wang, Yuanqing
,
Yu, Yin
,
Liang, Kun
,
Marques, Wilson
,
van de Water, Willem
,
Ubachs, Wim
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 613 KB
Vos balises:
english, 2017
36
Ab initio insight into graphene nanofibers to destabilize hydrazine borane for hydrogen release
Qian, Zhao
,
Raghubanshi, Himanshu
,
Sterlin Leo Hudson, M.
,
Srivastava, O.N.
,
Liu, Xiangfa
,
Ahuja, Rajeev
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.13 MB
Vos balises:
english, 2017
37
Quantifying covalent interactions with resonant inelastic soft X-ray scattering: Case study of Ni2+ aqua complex
Kunnus, K.
,
Josefsson, I.
,
Schreck, S.
,
Quevedo, W.
,
Miedema, P.S.
,
Techert, S.
,
de Groot, F.M.F.
,
Föhlisch, A.
,
Odelius, M.
,
Wernet, Ph.
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 819 KB
Vos balises:
english, 2017
38
Ginzburg-Landau free energy for molecular fluids: Determination and coarse-graining
Desgranges, Caroline
,
Delhommelle, Jerome
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.11 MB
Vos balises:
english, 2017
39
Hydrogen adsorption on Be, Mg, Ca and Sr doped graphenes: The role of the dopant in the IIA main group
Luo, Huijuan
,
Li, Hejun
,
Fu, Qiangang
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.60 MB
Vos balises:
english, 2017
40
Mechanistic study of hemicucurbit[6]uril formation by step-growth oligomerization and end-to-end cyclization
Yoo, In Kee
,
Kang, Young Kee
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 1.17 MB
Vos balises:
english, 2017
41
Editorial Board
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 30 KB
Vos balises:
english, 2017
42
Contents
Journal:
Chemical Physics Letters
Année:
2017
Langue:
english
Fichier:
PDF, 2.84 MB
Vos balises:
english, 2017
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