Chemical Physics Letters

1

Structural evolution during water crystallization: Insights from ring analysis

Payman Pirzadeh, Eric N. Beaudoin, Peter G. Kusalik

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 1.78 MB

english, 2011

2

Asymmetry in the internal energies of the optical rotamers of 1-bromo-2-chloroethane in oriented-molecule/surface scattering: A classical molecular dynamics study

Hau-Nan Lee, Ito Chao, Tzu-Min Su

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 738 KB

english, 2011

3

Conformation and internal motions of dimethyl sulfate: A microwave spectroscopy study

Laura B. Favero, Luca Evangelisti, Gang Feng, Lorenzo Spada, Walther Caminati

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 369 KB

english, 2011

4

The dynamic shape of ceria nanoparticles

Ruigang Wang, Samuel I. Mutinda

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 1.16 MB

english, 2011

5

Probing plasmon polarization-mediated photoluminescence enhancement on metal–semiconductor hybrid optical nanostructures

Maria Veronica Rigo, Jaetae Seo

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 765 KB

english, 2011

6

Pyrolysis of fulvenallene (C7H6) and fulvenallenyl (C7H5): Theoretical kinetics and experimental product detection

Gabriel da Silva, Adam J. Trevitt, Michael Steinbauer, Patrick Hemberger

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 456 KB

english, 2011

7

A theoretical study of the kinetics of the forward and reverse reactions HI + CH3 = I + CH4

Katarína Mečiarová, Martin Šulka, Sébastien Canneaux, Florent Louis, Ivan Černušák

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 274 KB

english, 2011

8

On the diagnosis of fluorescence active autoionizing states of helium

J.K. Saha, S. Bhattacharyya, P.K. Mukherjee, T.K. Mukherjee

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 197 KB

english, 2011

9

A DFT study of the interaction of elemental mercury with small neutral and charged silver clusters

Lushi Sun, Anchao Zhang, Sheng Su, Hua Wang, Junli Liu, Jun Xiang

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 609 KB

english, 2011

10

Spectroscopic parameters in noble gas molecule: HXeF and its complex with HF

Joanna Jankowska, Joanna Sadlej

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 338 KB

english, 2011

11

Thermal analysis of poly(sodium 4-styrenesulfonate) intercalated graphite oxide composites

Cheol-Soo Yang, Kyusoon Shin, Hae Kyung Jeong

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 413 KB

english, 2011

12

Heat-bath cooling of spins in two amino acids

Y. Elias, H. Gilboa, T. Mor, Y. Weinstein

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 466 KB

english, 2011

13

Crystal polymorphism of a room-temperature ionic liquid, 1,3-dimethylimidazolium hexafluorophosphate: Calorimetric and structural studies of two crystal phases having melting points of ∼50 K difference

Takatsugu Endo, Takeshi Morita, Keiko Nishikawa

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 498 KB

english, 2011

14

Shear and bulk viscosity in stable and metastable states of a Lennard-Jones liquid

Vladimir G. Baidakov, Sergey P. Protsenko, Zalija R. Kozlova

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 354 KB

english, 2011

15

Low-temperature cross polarization in view of enhancing dissolution Dynamic Nuclear Polarization in NMR

Sami Jannin, Aurélien Bornet, Sonia Colombo, Geoffrey Bodenhausen

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 334 KB

english, 2011

16

Mid-infrared vibrational spectroscopic characterization of 5,6-dihydroxyindole and eumelanin derived from it

Ryosuke Hyogo, Atsushi Nakamura, Hidekazu Okuda, Kazumasa Wakamatsu, Shosuke Ito, Takayuki Sota

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 304 KB

english, 2011

17

Molecular modeling of the inhibition of protein–protein interactions with small molecules: The IL2–IL2Rα case

Stefano Pieraccini, Riccardo De Gonda, Maurizio Sironi

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 1009 KB

english, 2011

18

Energy landscape inside the cage of neutral and charged N@C60

Xiuneng Song, Yong Ma, Chuankui Wang, Yi Luo

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 534 KB

english, 2011

19

Rotational dephasing of symmetric top molecules: Analytic expressions and applications

Oliver Schalk, Paul Hockett

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 498 KB

english, 2011

20

Behavior of a chemisorbed azobenzene derivative in an STM environment: A DFT study of charged states and electric fields

Chris Chapman, Irina Paci

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 730 KB

english, 2011

21

Hydration structure and dynamics of K+ and Ca2+ in aqueous solution: Comparison of conventional QM/MM and ONIOM-XS MD simulations

Supachai Wanprakhon, Anan Tongraar, Teerakiat Kerdcharoen

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 748 KB

english, 2011

22

Watching the coherence of multiple vibrational states in organic dye molecules by using supercontinuum probing photon echo spectroscopy

Guoyang Yu, Yunfei Song, Yang Wang, Xing He, Yuqiang Liu, Weilong Liu, Yanqiang Yang

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 729 KB

english, 2011

23

Edge–edge attractions in surfactant nanodiscs: Implications

C. Manohar, Janaky Narayanan

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 307 KB

english, 2011

24

Heterogeneity and viscosity decoupling in (acetamide + electrolyte) molten mixtures: A model simulation study

Tamisra Pal, Ranjit Biswas

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 795 KB

english, 2011

25

Editorial Board

Journal:

Chemical Physics Letters

Année:

2011

Fichier:

PDF, 34 KB

2011

26

Author Index

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 130 KB

english, 2011

Volume 517; Issue 4-6

Structural evolution during water crystallization: Insights from ring analysis

Asymmetry in the internal energies of the optical rotamers of 1-bromo-2-chloroethane in oriented-molecule/surface scattering: A classical molecular dynamics study

Conformation and internal motions of dimethyl sulfate: A microwave spectroscopy study

The dynamic shape of ceria nanoparticles

Probing plasmon polarization-mediated photoluminescence enhancement on metal–semiconductor hybrid optical nanostructures

Pyrolysis of fulvenallene (C7H6) and fulvenallenyl (C7H5): Theoretical kinetics and experimental product detection

A theoretical study of the kinetics of the forward and reverse reactions HI + CH3 = I + CH4

On the diagnosis of fluorescence active autoionizing states of helium

A DFT study of the interaction of elemental mercury with small neutral and charged silver clusters

Spectroscopic parameters in noble gas molecule: HXeF and its complex with HF

Thermal analysis of poly(sodium 4-styrenesulfonate) intercalated graphite oxide composites

Heat-bath cooling of spins in two amino acids

Crystal polymorphism of a room-temperature ionic liquid, 1,3-dimethylimidazolium hexafluorophosphate: Calorimetric and structural studies of two crystal phases having melting points of ∼50 K difference

Shear and bulk viscosity in stable and metastable states of a Lennard-Jones liquid

Low-temperature cross polarization in view of enhancing dissolution Dynamic Nuclear Polarization in NMR

Mid-infrared vibrational spectroscopic characterization of 5,6-dihydroxyindole and eumelanin derived from it

Molecular modeling of the inhibition of protein–protein interactions with small molecules: The IL2–IL2Rα case

Energy landscape inside the cage of neutral and charged N@C60

Rotational dephasing of symmetric top molecules: Analytic expressions and applications

Behavior of a chemisorbed azobenzene derivative in an STM environment: A DFT study of charged states and electric fields

Hydration structure and dynamics of K+ and Ca2+ in aqueous solution: Comparison of conventional QM/MM and ONIOM-XS MD simulations

Watching the coherence of multiple vibrational states in organic dye molecules by using supercontinuum probing photon echo spectroscopy

Edge–edge attractions in surfactant nanodiscs: Implications

Heterogeneity and viscosity decoupling in (acetamide + electrolyte) molten mixtures: A model simulation study

Editorial Board

Contents

Author Index