Chemical Physics Letters

1

Intramolecular radiationless transitions dominate exciton relaxation dynamics

Jumper, Chanelle C., Anna, Jessica M., Stradomska, Anna, Schins, Juleon, Myahkostupov, Mykhaylo, Prusakova, Valentina, Oblinsky, Daniel G., Castellano, Felix N., Knoester, Jasper, Scholes, Gregory D.

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 2.12 MB

english, 2014

2

Spin–orbit all-electron configuration interaction study on the electronic structure and radiative lifetimes of low-lying excited states of CdH

Li, Rui, Zhai, Zhen, Zhang, Xiaomei, Jin, Mingxing, Xu, Haifeng, Yan, Bing

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 670 KB

english, 2014

3

Density functional theory study of interactions between glycine and TiO2/graphene nanocomposites

Wang, Meng-hao, Guo, Ya-nan, Wang, Qun, Zhang, Xia-shi-yao, Huang, Jing-jing, Lu, Xiong, Wang, Ke-feng, Zhang, Hong-ping, Leng, Yang

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.69 MB

english, 2014

4

Observation of multi-mode: Upconversion, downshifting and quantum-cutting emission in Tm3+/Yb3+ co-doped Y2O3 phosphor

Yadav, Ranvijay, Singh, S.K., Verma, R.K., Rai, S.B.

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.22 MB

english, 2014

5

Electro-optical properties of aromatic oligoazomethine/permethylated α-cyclodextrin main-chain polyrotaxanes

Stefanache, Andreea, Balan, Mihaela, Harabagiu, Valeria, Aubert, Pierre-Henri, Guegan, Philippe, Farcas, Aurica

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 900 KB

english, 2014

6

The extinction differential induced virulence macroevolution

Zhang, Feng, Xu, Liufang, Wang, Jin

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 932 KB

english, 2014

7

Annealing time on carrier dynamics of ZnTe nanoparticles embedded in a near ultraviolet-transparent glass

Silva, Alessandra S., Lourenço, Sidney A., Pereira-da-Silva, Marcelo A., Duarte, José L., Renzi, Wesley, Alcalde, Augusto M., Dantas, Noelio O.

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 3.26 MB

english, 2014

8

Extremely strong temperature-dependent Davydow-splitting effects in the polarized IR spectra of the hydrogen bond: Pyrazole and quinolin-2(1H)-one crystals

Hachuła, Barbara, Flakus, Henryk T., Tyl, Aleksandra, Polasz, Anna

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.23 MB

english, 2014

9

Acylation and deacylation mechanism of Helicobacter pylori AmiF formamidase: A computational DFT study

He, Rongxing, Yang, Qinlei, Li, Ming

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.81 MB

english, 2014

10

Reduced thermal conductivity of isotope substituted carbon nanomaterials: Nanotube versus graphene nanoribbon

Ray, Upamanyu, Balasubramanian, Ganesh

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.37 MB

english, 2014

11

A generalized electrowetting equation: Its derivation and consequences

Bormashenko, Edward, Gendelman, Oleg

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 461 KB

english, 2014

12

Formation of wide bandgap cerium oxide nanoparticles by laser ablation in aqueous solution

Takeda, Yoshihiro, Mafuné, Fumitaka

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.06 MB

english, 2014

13

High fluorescence quantum efficiency of CdSe/ZnS quantum dots embedded in GPTS/TEOS-derived organic/silica hybrid colloids

Alencar, Lorena D.S., Pilla, Viviane, Andrade, Acácio A., Donatti, Dario A., Vollet, Dimas R., De Vicente, Fábio S.

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 910 KB

english, 2014

14

Photoinduced doughnut-shaped nanostructures

Dubrovkin, A.M., Barillé, R., Ortyl, E., Zielinska, S.

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.14 MB

english, 2014

15

Influence of different amount of functionalized bulky gold nanorods dopant on the electrooptical, dielectric and optical properties of the FLC host

Shukla, R.K., Feng, X., Umadevi, S., Hegmann, T., Haase, W.

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.47 MB

english, 2014

16

Electroabsorption and electrophotoluminescence spectra of some subphthalocyanines

Awasthi, Kamlesh, Nakamura, Kosuke, Kono, Hirohiko, Kobayashi, Nagao, Ohta, Nobuhiro

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.10 MB

english, 2014

17

Fourier type potential energy function for conformational change of selected organic functional groups

Rágyanszki, Anita, Surányi, Attila, Csizmadia, Imre G., Kelemen, András, Knak Jensen, Svend J., Uysal, Selma Yarligan, Viskolcz, Béla

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.65 MB

english, 2014

18

Fast and accurate predictions of heat of formation by G4MP2-SFM parameterization scheme: An application to imidazole derivatives

Shoaib, Mahbubul Alam, Cho, Soo Gyeong, Choi, Cheol Ho

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 360 KB

english, 2014

19

Structural modeling of Vpu from HIV-1 based on solid-state NMR observables

Ahn, SeonJoo, Lim, GyuTae, Nam, Seungyoon, Lee, Jinhyuk

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.67 MB

english, 2014

20

The role of the umbrella inversion mode in proton diffusion

Hassanali, Ali A., Giberti, Federico, Sosso, Gabriele C., Parrinello, Michele

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.22 MB

english, 2014

21

Separation of the hydrogen sulfide and methane mixture by the porous graphene membrane: Effect of the charges

Lei, Guangping, Liu, Chao, Xie, Hui, Song, Fenhong

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 2.01 MB

english, 2014

22

Improving photo-stability of conjugated polymer MEH-PPV embedded in solid matrices by purification of the matrix polymer

Tian, Yuxi, Sheinin, Vladimir, Kulikova, Olga, Mamardashvili, Nugzar, Scheblykin, Ivan G.

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 757 KB

english, 2014

23

S1(n, π∗), 1A2 fluorescence and T1(n, π∗), 3A2 phosphorescence spectra of xanthone vapor

Itoh, Takao

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 305 KB

english, 2014

24

Helicoidal precipitation patterns in silica and agarose gels

Thomas, Shibi, Varghese, George, Bárdfalvy, Dóra, Lagzi, István, Rácz, Zoltán

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 819 KB

english, 2014

25

Calculations on the complex mechanism of the HCNO+OH reaction

Nguyen, Hue Minh Thi, Nguyen, Trong Nghia

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.63 MB

english, 2014

26

Editorial Board

Journal:

Chemical Physics Letters

Année:

2014

Fichier:

PDF, 33 KB

2014

27

On of molecular similarity based on a single molecular descriptor

Randić, Milan

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 311 KB

english, 2014

28

Double amino acid – A novel molecule enabling peptide interpenetrating structures

Freza, Sylwia, Marchaj, Marzena, Skurski, Piotr

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 873 KB

english, 2014

30

Theoretical insights on the antioxidant activity of edaravone free radical scavengers derivatives

Cerón-Carrasco, José P., Roy, Hélène M., Cerezo, Javier, Jacquemin, Denis, Laurent, Adèle D.

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 730 KB

english, 2014

31

High-resolution 2D NMR spectra in inhomogeneous fields via 3D acquisition

Lin, Yanqin, Wei, Zhiliang, Zhang, Liandi, Lin, Liangjie, Chen, Zhong

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.21 MB

english, 2014

32

The effect of oxygen molecule on the hydrogen storage process of Li-doped graphene

Zhang, Teng, Ling, Cuicui, Xue, Qingzhong, Wu, Tiantian

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 998 KB

english, 2014

Volume 599

Intramolecular radiationless transitions dominate exciton relaxation dynamics

Spin–orbit all-electron configuration interaction study on the electronic structure and radiative lifetimes of low-lying excited states of CdH

Density functional theory study of interactions between glycine and TiO2/graphene nanocomposites

Observation of multi-mode: Upconversion, downshifting and quantum-cutting emission in Tm3+/Yb3+ co-doped Y2O3 phosphor

Electro-optical properties of aromatic oligoazomethine/permethylated α-cyclodextrin main-chain polyrotaxanes

The extinction differential induced virulence macroevolution

Annealing time on carrier dynamics of ZnTe nanoparticles embedded in a near ultraviolet-transparent glass

Extremely strong temperature-dependent Davydow-splitting effects in the polarized IR spectra of the hydrogen bond: Pyrazole and quinolin-2(1H)-one crystals

Acylation and deacylation mechanism of Helicobacter pylori AmiF formamidase: A computational DFT study

Reduced thermal conductivity of isotope substituted carbon nanomaterials: Nanotube versus graphene nanoribbon

A generalized electrowetting equation: Its derivation and consequences

Formation of wide bandgap cerium oxide nanoparticles by laser ablation in aqueous solution

High fluorescence quantum efficiency of CdSe/ZnS quantum dots embedded in GPTS/TEOS-derived organic/silica hybrid colloids

Photoinduced doughnut-shaped nanostructures

Influence of different amount of functionalized bulky gold nanorods dopant on the electrooptical, dielectric and optical properties of the FLC host

Electroabsorption and electrophotoluminescence spectra of some subphthalocyanines

Fourier type potential energy function for conformational change of selected organic functional groups

Fast and accurate predictions of heat of formation by G4MP2-SFM parameterization scheme: An application to imidazole derivatives

Structural modeling of Vpu from HIV-1 based on solid-state NMR observables

The role of the umbrella inversion mode in proton diffusion

Separation of the hydrogen sulfide and methane mixture by the porous graphene membrane: Effect of the charges

Improving photo-stability of conjugated polymer MEH-PPV embedded in solid matrices by purification of the matrix polymer

S1(n, π∗), 1A2 fluorescence and T1(n, π∗), 3A2 phosphorescence spectra of xanthone vapor

Helicoidal precipitation patterns in silica and agarose gels

Calculations on the complex mechanism of the HCNO+OH reaction

Editorial Board

On of molecular similarity based on a single molecular descriptor

Contents

Double amino acid – A novel molecule enabling peptide interpenetrating structures

Theoretical insights on the antioxidant activity of edaravone free radical scavengers derivatives

High-resolution 2D NMR spectra in inhomogeneous fields via 3D acquisition

The effect of oxygen molecule on the hydrogen storage process of Li-doped graphene