Chemical Physics Letters

1

A new rate equation for desorption at the solid/solution interface

Bashiri, Hadis, Hassani Javanmardi, Alireza

Journal:

Année:

2017

Langue:

english

Fichier:

PDF, 1.20 MB

english, 2017

2

Studies of solvation behaviour of LiI prevailing in diverse solvent systems conductometrically and spectrometrically supported by ab initio technique

Das, Koyeli, Bomzan, Pranish, Das, Rajesh Kumar, Rajbanshi, Biplab, Roy, Mahendra Nath

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.52 MB

english, 2017

3

Healing of a carbon-vacancy defect in silicon carbide nanotubes by CO molecules: A DFT study

Esrafili, Mehdi D., Saeidi, Nasibeh

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1014 KB

english, 2017

4

Performance of glucose/O 2 enzymatic fuel cell based on supporting electrodes over-coated by polymer-nanogold particle composite with entrapped enzymes

Huo, W.S., Zeng, H., Yang, Y., Zhang, Y.H.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 745 KB

english, 2017

5

A comparative DFT study of interactions of Au and small gold clusters Au n (n = 2–4) with CH 3 S and CH 2 radicals

Blaško, Martin, Rajský, Tomáš, Urban, Miroslav

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.19 MB

english, 2017

6

Influence of protein crowder size on hydration structure and dynamics in macromolecular crowding

Wang, Po-hung, Yu, Isseki, Feig, Michael, Sugita, Yuji

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.33 MB

english, 2017

7

Functionalization of benzene by superhalogens

Srivastava, Ambrish Kumar, Kumar, Abhishek, Misra, Neeraj

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 912 KB

english, 2017

8

All-boron fullerene exhibits a strong affinity to inorganic anions

Colherinhas, Guilherme, Fileti, Eudes Eterno, Chaban, Vitaly V.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.14 MB

english, 2017

9

Presentation of the PyDEF post-treatment Python software to compute publishable charts for defect energy formation

Péan, Emmanuel, Vidal, Julien, Jobic, Stéphane, Latouche, Camille

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.49 MB

english, 2017

10

On the existence of a scattering pre-peak in the mono-ols and diols

Poz̆ar, Martina, Perera, Aurélien

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 836 KB

english, 2017

11

Synthesis of Ibuprofen intermediate using alcoholic silver nanoparticles and its kinetics: A greener approach towards drug synthesis

Pawar, Sandeep J., Patil, Shivkumar Y., Mahulikar, Pramod P., Zope, Vishvanath S.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.55 MB

english, 2017

12

Fast pulling of ligand approach for the design of β-secretase 1 inhibitors

Truong, Duc Toan, Nguyen, Minh Tung, Vu, Van V., Ngo, Son Tung

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 729 KB

english, 2017

13

Thermodynamics and binding mode of novel structurally related 1,2,4-thiadiazole derivatives with native and modified cyclodextrins

Terekhova, Irina V., Chislov, Mikhail V., Brusnikina, Maria A., Chibunova, Ekaterina S., Volkova, Tatyana V., Zvereva, Irina A., Proshin, Alexey N.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 972 KB

english, 2017

14

clusters

Alvarez-Thon, Luis, Caimanque-Aguilar, Wilson

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.10 MB

english, 2017

15

The saturable absorption and reverse saturable absorption properties of Cu doped zinc oxide thin films

Yao, Cheng-Bao, Wen, Xin, Li, Qiang-Hua, Yan, Xiao-Yan, Li, Jin, Zhang, Ke-Xin, Sun, Wen-Jun, Bai, Li-Na, Yang, Shou-Bin

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.60 MB

english, 2017

16

Shape-controlled synthesis of Cu 2 O nanocrystals by one pot solution-phase reduction process

Zhang, Meili, Yu, Jinpeng, Zhang, Jianmin, Lan, Qi, Dai, Jia, Huang, Yaohan, Li, Guangli, Fan, Qingfei, Fan, Ximei, Zhou, Zuowan

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.89 MB

english, 2017

17

Computational prediction of the pKas of small peptides through Conceptual DFT descriptors

Frau, Juan, Hernández-Haro, Noemí, Glossman-Mitnik, Daniel

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 626 KB

english, 2017

18

Prediction of a new ice clathrate with record low density: A potential candidate as ice XIX in guest-free form

Huang, Yingying, Zhu, Chongqin, Wang, Lu, Zhao, Jijun, Zeng, Xiao Cheng

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.15 MB

english, 2017

19

Dynamics of ions in a water drop using the AMOEBA polarizable force field

Thaunay, Florian, Ohanessian, Gilles, Clavaguéra, Carine

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.60 MB

english, 2017

20

MRCI+Q calculations on spectroscopic properties of excited states of PbH including spin-orbit coupling

Zhao, Shutao, Li, Rui, Zhang, Hua, Li, Huiquan

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 624 KB

english, 2017

21

Electronic states and spectroscopic parameters of selenium monoiodide, SeI: A theoretical contribution

Belinassi, Antonio Ricardo, Alves, Tiago Vinicius, Ornellas, Fernando R.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 495 KB

english, 2017

22

PEG encapsulated by porous triamide-linked polymers as support for solid-liquid phase change materials for energy storage

Andriamitantsoa, Radoelizo S., Dong, Wenjun, Gao, Hongyi, Wang, Ge

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 3.31 MB

english, 2017

23

Selectivity for CO 2 over CH 4 on a functionalized periodic mesoporous phenylene-silica explained by transition state theory

Kunkel, Christian, Viñes, Francesc, Lourenço, Mirtha A.O., Ferreira, Paula, Gomes, José R.B., Illas, Francesc

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 413 KB

english, 2017

24

Solvent-dependent absorption and electronic relaxation dynamics of iron (III) tetra-4-N-methylpyridylporphine

Williams, Lenzi J., Knappenberger, Kenneth L.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.37 MB

english, 2017

25

Rate theory on water exchange in aqueous uranyl ion

Dang, Liem X., Vo, Quynh N., Nilsson, Mikael, Nguyen, Hung D.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 479 KB

english, 2017

26

Cycle of charge carrier states with formation and extinction of a floating gate in an ambipolar tetracyanoquaterthienoquinoid-based field-effect transistor

Itoh, Takuro, Toyota, Taro, Higuchi, Hiroyuki, Matsushita, Michio M., Suzuki, Kentaro, Sugawara, Tadashi

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.19 MB

english, 2017

27

Comments on “Entransy analysis and optimization of performance of nano-scale irreversible Otto cycle operating with Maxwell-Boltzmann ideal gas”

Awad, M.M.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 202 KB

english, 2017

28

A combined X-ray scattering and simulation study of halothane in membranes at raised pressures

McCarthy, N.L.C., Brooks, N.J., Tyler, A.I.I., ElGamacy, Mohammad, Welche, P.R.L., Payne, M.C., Chau, P.-L.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 608 KB

english, 2017

29

Velocity map ion imaging study of Ar 2 + photodissociation

Maner, J.A., Mauney, D.T., Duncan, M.A.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 675 KB

english, 2017

30

Editorial Board

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 30 KB

english, 2017

31

Volume 671

A new rate equation for desorption at the solid/solution interface

Studies of solvation behaviour of LiI prevailing in diverse solvent systems conductometrically and spectrometrically supported by ab initio technique

Healing of a carbon-vacancy defect in silicon carbide nanotubes by CO molecules: A DFT study

Performance of glucose/O 2 enzymatic fuel cell based on supporting electrodes over-coated by polymer-nanogold particle composite with entrapped enzymes

A comparative DFT study of interactions of Au and small gold clusters Au n (n = 2–4) with CH 3 S and CH 2 radicals

Influence of protein crowder size on hydration structure and dynamics in macromolecular crowding

Functionalization of benzene by superhalogens

All-boron fullerene exhibits a strong affinity to inorganic anions

Presentation of the PyDEF post-treatment Python software to compute publishable charts for defect energy formation

On the existence of a scattering pre-peak in the mono-ols and diols

Synthesis of Ibuprofen intermediate using alcoholic silver nanoparticles and its kinetics: A greener approach towards drug synthesis

Fast pulling of ligand approach for the design of β-secretase 1 inhibitors

Thermodynamics and binding mode of novel structurally related 1,2,4-thiadiazole derivatives with native and modified cyclodextrins

clusters

The saturable absorption and reverse saturable absorption properties of Cu doped zinc oxide thin films

Shape-controlled synthesis of Cu 2 O nanocrystals by one pot solution-phase reduction process

Computational prediction of the pKas of small peptides through Conceptual DFT descriptors

Prediction of a new ice clathrate with record low density: A potential candidate as ice XIX in guest-free form

Dynamics of ions in a water drop using the AMOEBA polarizable force field

MRCI+Q calculations on spectroscopic properties of excited states of PbH including spin-orbit coupling

Electronic states and spectroscopic parameters of selenium monoiodide, SeI: A theoretical contribution

PEG encapsulated by porous triamide-linked polymers as support for solid-liquid phase change materials for energy storage

Selectivity for CO 2 over CH 4 on a functionalized periodic mesoporous phenylene-silica explained by transition state theory

Solvent-dependent absorption and electronic relaxation dynamics of iron (III) tetra-4-N-methylpyridylporphine

Rate theory on water exchange in aqueous uranyl ion

Cycle of charge carrier states with formation and extinction of a floating gate in an ambipolar tetracyanoquaterthienoquinoid-based field-effect transistor

Comments on “Entransy analysis and optimization of performance of nano-scale irreversible Otto cycle operating with Maxwell-Boltzmann ideal gas”

A combined X-ray scattering and simulation study of halothane in membranes at raised pressures

Velocity map ion imaging study of Ar 2 + photodissociation

Editorial Board

Contents