Chemical Physics Letters

1

A DFT study of magnetic interactions in photoswitchable systems

Diane Bousquet, Cyril Peltier, Charles Masselin, Denis Jacquemin, Carlo Adamo, Ilaria Ciofini

Journal:

Année:

2012

Langue:

english

Fichier:

PDF, 654 KB

english, 2012

2

Thermal conductivity, shear viscosity and specific heat of rigid water models

Yijin Mao, Yuwen Zhang

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 370 KB

english, 2012

3

Performance of the coupled cluster and DFT methods for through-space magnetic interactions of nitroxide dimer

Toru Saito, Akira Ito, Tomohiro Watanabe, Takashi Kawakami, Mitsutaka Okumura, Kizashi Yamaguchi

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 956 KB

english, 2012

4

Ultrafast electron crystallography of monolayer adsorbates on clean surfaces: Structural dynamics

Wenxi Liang, Sascha Schäfer, Ahmed H. Zewail

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 787 KB

english, 2012

5

Equation of motion coupled cluster theory calculations of the X-ray emission spectroscopy of water

Nicholas A. Besley

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 372 KB

english, 2012

6

Upright-standing SnO2 nanowalls: Fabrication, dual-photosensitization and photovoltaic properties

Dipak V. Shinde, Iseul Lim, Chang Sam Kim, Joong Kee Lee, Rajaram S. Mane, Sung-Hwan Han

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 606 KB

english, 2012

7

Sub-bandgap absorption in polymer-fullerene solar cells studied by temperature-dependent external quantum efficiency and absorption spectroscopy

Martin Presselt, Felix Herrmann, Sviatoslav Shokhovets, Harald Hoppe, Erich Runge, Gerhard Gobsch

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 539 KB

english, 2012

8

Towards large-scale calculations with State-Specific Multireference Coupled Cluster methods: Studies on dodecane, naphthynes, and polycarbenes

Jiří Brabec, Kiran Bhaskaran-Nair, Karol Kowalski, Jiří Pittner, Hubertus J.J. van Dam

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 514 KB

english, 2012

9

Evolution of structure and interaction during aggregation of silica nanoparticles in aqueous electrolyte solution

A.J. Chinchalikar, V.K. Aswal, J. Kohlbrecher, A.G. Wagh

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 495 KB

english, 2012

10

Detection of the intrinsic two energy gaps in individual Mn12 single molecule magnets

Lan Meng, Bing-Fa Lin, Ji-Yong Yang, Yi Sun, Rui-Fen Dou, Lian-Xi Ma, Chang-Min Xiong, Jia-Cai Nie

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 538 KB

english, 2012

11

Ultrafast electron crystallography of heterogeneous structures: Gold-graphene bilayer and ligand-encapsulated nanogold on graphene

Wenxi Liang, Sascha Schäfer, Ahmed H. Zewail

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 622 KB

english, 2012

12

Improvement of electromigration reliability and diffusion of Cu films using coherent Cu(1 1 1)/Cr2O3(0 0 0 1) interfaces

M.X. Xiao, M. Zhao, X.Y. Lang, Y.F. Zhu, Q. Jiang

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 905 KB

english, 2012

13

A quantum mechanical study of alkylimidazolium halide ionic liquids

Wei Li, Chuansong Qi, Hua Rong, Xinmin Wu, Liangfa Gong

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 521 KB

english, 2012

14

The average numbers of outliers over groups of various splits into training and test sets: A criterion of the reliability of a QSPR? A case of water solubility

Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina Gini, Danuta Leszczynska, Jerzy Leszczynski

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 397 KB

english, 2012

15

Electronic structure and chemical bonding of Li4Pt3Si

S.F. Matar, R. Pöttgen, A.F. Al Alam, N. Ouaini

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 804 KB

english, 2012

16

Ultrafast carrier dynamics in PbS quantum dots

Qing Shen, Kenji Katayama, Tsuguo Sawada, Sojiro Hachiya, Taro Toyoda

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 368 KB

english, 2012

17

Photophysics of closed- and open-ring isomers of a diarylethene with a carboxylic anchor group

S. Kuehn, S. Friede, M. Zastrow, C. Gahl, K. Rueck-Braun, T. Elsaesser

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 315 KB

english, 2012

18

Platinum electrodeposition in porous silicon: The influence of surface solvation effects on a chemical reaction in a nanospace

Kazuhiro Fukami, Ryo Koda, Tetsuo Sakka, Tomoko Urata, Ken-ichi Amano, Hikaru Takaya, Masaharu Nakamura, Yukio Ogata, Masahiro Kinoshita

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 950 KB

english, 2012

19

Sequential and combinational logic realized with asymmetric porphyrin covalently connected to mesoporous silica films

Peng Li, Bin Li, Liming Zhang, Jie Gao, Haifeng Zhao

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 591 KB

english, 2012

20

Corrigendum to ‘Laser spectroscopy of the X1Σ+ and B1Π states of the LiRb molecule’ [Chem. Phys. Lett. 511 (2011) 7]

Sourav Dutta, Adeel Altaf, D.S. Elliott, Yong P. Chen

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 177 KB

english, 2012

21

Highly enhanced UV emission due to surface plasmon resonance in Ag–ZnO nanorods

Moumita Mahanti, Durga Basak

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 1.74 MB

english, 2012

22

Mosaicity and structural fatigability of a gradual spin-crossover single crystal

Philippe Guionneau, Sabine Lakhloufi, Marie-Hélène Lemée-Cailleau, Guillaume Chastanet, Patrick Rosa, Cindy Mauriac, Jean-François Létard

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 240 KB

english, 2012

23

Infrared photodissociation spectroscopy of trigonal bipyramidal 19-electron cation

Chaoxian Chi, Jieming Cui, Xiaopeng Xing, Guanjun Wang, Zhi-Pan Liu, Mingfei Zhou

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 363 KB

english, 2012

24

Investigation of thick cobalt films electrodeposited on gold substrates

Witold Szmaja, Witold Kozłowski, Krzysztof Polański, Józef Balcerski, Michał Cichomski, Jarosław Grobelny, Marek Zieliński, Ewa Miękoś

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 1.60 MB

english, 2012

25

Correlation of 1JCH spin–spin coupling constants and their solvent sensitivities

Astghik A. Shahkhatuni, Aleksandr B. Sahakyan, Aleksan G. Shahkhatuni, Suren S. Mamyan, Henry A. Panosyan

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 389 KB

english, 2012

26

Ab initio potential curves for the , and states of

Sandipan Banerjee, John A. Montgomery Jr., Jason N. Byrd, H. Harvey Michels, Robin Côté

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 616 KB

english, 2012

27

Rate constants of quenching of the fluorescence of pterins by the iodide anion in aqueous solution

Sridhar Swarna, Carolina Lorente, Andrés H. Thomas, Christopher B. Martin

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 466 KB

english, 2012

28

Magnetic sensitivity and entanglement dynamics of the chemical compass

I.K. Kominis

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 378 KB

english, 2012

29

Electronic specific heat of an α3-helical polypeptide and its biochemical variants

G.A. Mendes, E.L. Albuquerque, U.L. Fulco, L.M. Bezerril, E.W.S. Caetano, V.N. Freire

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 567 KB

english, 2012

30

Electrophilicity and solvatochromic reversal of pyridinium phenolate betaine dyes

Marcos Caroli Rezende, Andrés Aracena

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 335 KB

english, 2012

31

Description of proton transfer in soybean lipoxygenase-1 employing approximate quantum trajectory dynamics

James Mazzuca, Sophya Garashchuk, Jacek Jakowski

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 594 KB

english, 2012

32

Octupolar metal complexes for third order nonlinear optical studies

B.J. Rudresha, K.B. Manjunatha, G. Umesh, B. Ramachandra Bhat

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 405 KB

english, 2012

33

Editorial Board

Journal:

Chemical Physics Letters

Année:

2012

Fichier:

PDF, 34 KB

2012

34

Volume 542; Issue none

A DFT study of magnetic interactions in photoswitchable systems

Thermal conductivity, shear viscosity and specific heat of rigid water models

Performance of the coupled cluster and DFT methods for through-space magnetic interactions of nitroxide dimer

Ultrafast electron crystallography of monolayer adsorbates on clean surfaces: Structural dynamics

Equation of motion coupled cluster theory calculations of the X-ray emission spectroscopy of water

Upright-standing SnO2 nanowalls: Fabrication, dual-photosensitization and photovoltaic properties

Sub-bandgap absorption in polymer-fullerene solar cells studied by temperature-dependent external quantum efficiency and absorption spectroscopy

Towards large-scale calculations with State-Specific Multireference Coupled Cluster methods: Studies on dodecane, naphthynes, and polycarbenes

Evolution of structure and interaction during aggregation of silica nanoparticles in aqueous electrolyte solution

Detection of the intrinsic two energy gaps in individual Mn12 single molecule magnets

Ultrafast electron crystallography of heterogeneous structures: Gold-graphene bilayer and ligand-encapsulated nanogold on graphene

Improvement of electromigration reliability and diffusion of Cu films using coherent Cu(1 1 1)/Cr2O3(0 0 0 1) interfaces

A quantum mechanical study of alkylimidazolium halide ionic liquids

The average numbers of outliers over groups of various splits into training and test sets: A criterion of the reliability of a QSPR? A case of water solubility

Electronic structure and chemical bonding of Li4Pt3Si

Ultrafast carrier dynamics in PbS quantum dots

Photophysics of closed- and open-ring isomers of a diarylethene with a carboxylic anchor group

Platinum electrodeposition in porous silicon: The influence of surface solvation effects on a chemical reaction in a nanospace

Sequential and combinational logic realized with asymmetric porphyrin covalently connected to mesoporous silica films

Corrigendum to ‘Laser spectroscopy of the X1Σ+ and B1Π states of the LiRb molecule’ [Chem. Phys. Lett. 511 (2011) 7]

Highly enhanced UV emission due to surface plasmon resonance in Ag–ZnO nanorods

Mosaicity and structural fatigability of a gradual spin-crossover single crystal

Infrared photodissociation spectroscopy of trigonal bipyramidal 19-electron cation

Investigation of thick cobalt films electrodeposited on gold substrates

Correlation of 1JCH spin–spin coupling constants and their solvent sensitivities

Ab initio potential curves for the , and states of

Rate constants of quenching of the fluorescence of pterins by the iodide anion in aqueous solution

Magnetic sensitivity and entanglement dynamics of the chemical compass

Electronic specific heat of an α3-helical polypeptide and its biochemical variants

Electrophilicity and solvatochromic reversal of pyridinium phenolate betaine dyes

Description of proton transfer in soybean lipoxygenase-1 employing approximate quantum trajectory dynamics

Octupolar metal complexes for third order nonlinear optical studies

Editorial Board

Contents