Volume 325; Issue 2-3

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Chemical Physics
Volume 325; Issue 2-3

Chemical Physics

Volume 325; Issue 2-3

1

First infrared spectroscopic characterization of digermyl (Ge2H5) and d5-digermyl (Ge2D5) radicals in low temperature germane matrices

William Carrier, Weijun Zheng, Yoshihiro Osamura, Ralf I. Kaiser

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 208 KB

english, 2006

2

XAS study of a Pt-containing rod-like organometallic polymer

C. Battocchio, F. D’Acapito, G. Smolentsev, A.V. Soldatov, I. Fratoddi, G. Contini, I. Davoli, G. Polzonetti, S. Mobilio

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 499 KB

english, 2006

3

Correlation of PEO conformations and solvation in PEO–NaSCN polymer electrolytes

Jianji Wang, Hucheng Zhang, Honghe Zheng, Xiaopeng Xuan

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 141 KB

english, 2006

4

Visible-to-ultraviolet upconversion in Pr3+:Y2SiO5 crystals

Changhong Hu, Chenglin Sun, Jianfu Li, Zhongshan Li, Hanzhuang Zhang, Zhankui Jiang

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 162 KB

english, 2006

5

Vibronic interactions in the positively charged π-conjugated hydrocarbons

Takashi Kato, Tokio Yamabe

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 198 KB

english, 2006

6

A new expression for radial distribution function and infinite shear modulus of Lennard-Jones fluids

M. Bamdad, S. Alavi, B. Najafi, E. Keshavarzi

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 176 KB

english, 2006

7

Effect of proton transfer on the electronic coupling in DNA

Janusz Rak, Joanna Makowska, Alexander A. Voityuk

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 215 KB

english, 2006

8

DFT derived solvation models for organic compounds in alkane solvents

Eduardo J. Delgado, Joel B. Alderete, Gonzalo A. Jaña

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 107 KB

english, 2006

9

Numerical evidence of Luttinger liquid behavior of potassium doped trans-polyacetylene chain of infinite length

Sabyasachi Sen, Swapan Chakrabarti

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 141 KB

english, 2006

10

Problems of coherent description of electron transfer reactions

Dmitry V. Dodin

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 180 KB

english, 2006

11

Spin–orbit coupling in the double exchange model 1. Antisymmetric double exchange in a valence-delocalized [Fe2.5+Fe2.5+] cluster

Moisey I. Belinsky

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 347 KB

english, 2006

12

Spin–orbit coupling in the double exchange model 2. Comparison of the antisymmetric double exchange with the Dzialoshinsky–Moriya antisymmetric exchange, spin canting and ZFS

Moisey I. Belinsky

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 382 KB

english, 2006

13

Investigation of charge-carrier injection characteristics in NPB/Alq3 heterojunction devices

Jiangshan Chen, Dongge Ma

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 204 KB

english, 2006

14

Calculation of hydrogen’s thermal conductivity at moderate and high densities

H. Behnejad, A. Pedram

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 322 KB

english, 2006

15

Magnetic property and theoretical study on a new one-dimensional coordination polymer [Co(μ1,3-SCN)(μ-MPyO)(SCN)(CH3OH)]n with mixed bridging ligands

Jing-Min Shi, Zhe Liu, You-Min Sun, Long Yi, Lian-Dong Liu

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 355 KB

english, 2006

16

Theoretical and spectroscopic investigation of the oxidation and degradation of protocatechuic acid

Despina Hatzipanayioti, Alexandra Karaliota, Mary Kamariotaki, Vasilios Aletras, Panayiotis Petropouleas

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 316 KB

english, 2006

17

Theoretical and experimental studies on the molecular and electronic structures of cytisine and unsaturated keto-sparteines

V. Galasso, A.K. Przybył, V. Christov, B. Kovač, F. Asaro, E. Zangrando

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 458 KB

english, 2006

18

The nature of the S1/S0 conical intersection of fulvene

Omar Deeb, Semyon Cogan, Shmuel Zilberg

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 155 KB

english, 2006

19

Near-contact adiabatic suppression of electron transfer in the inverted region

A.I. Burshtein, V. Gladkikh

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 173 KB

english, 2006

20

Photophysical studies of six amphiphilic 2:1 cyclodextrin:[60]fullerene derivatives

Annamaria Quaranta, Yongmin Zhang, Salvatore Filippone, Juan Yang, Pierre Sinaÿ, André Rassat, Ruth Edge, Suppiah Navaratnam, David J. McGarvey, Edward J. Land, Michael Brettreich, Andreas Hirsch, Ren

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 248 KB

english, 2006

21

Modelling of clusters IV: Structural changes in and

René Kalus, Daniel Hrivňák, Aleš Vítek

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 289 KB

english, 2006

22

Sodium and potassium salts of dichloroisocyanuric acid and their hydrates as antimicrobials agents studied by 35Cl-NQR spectroscopy and DFT calculations

A. Walczak, B. Brycki, M. Kaczmarek, O.Kh. Poleshchuk, M. Ostafin, B. Nogaj

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 170 KB

english, 2006

23

Theoretical investigation of DNA oligomer systems. Modification of the hydrogen atoms transfer in a base pair due to time-dependent interaction with stacked base pairs

Giovanni Villani

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 548 KB

english, 2006

24

A quantum chemical ab initio study of the polymerization to polyhydridophosphazenes

Rebecca Fondermann, Michael Dolg, Michael Raab, Edgar Niecke

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 672 KB

english, 2006

25

Theoretical and experimental studies on binding mode of 3,5-pyrazoledicarboxylic acid in its new La(III) complex

Niculina Peica, Irena Kostova, Wolfgang Kiefer

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 335 KB

english, 2006

26

Dependence with the oxidation state of X-ray transition energies, intensities and natural line widths of CrKβ spectra

M. Torres Deluigi, G. Tirao, G. Stutz, C. Cusatis, J.A. Riveros

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 433 KB

english, 2006

27

Chemical effects on the satellite lines of sulfur Kβ X-ray emission spectra

M. Torres Deluigi, J.A. Riveros

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 153 KB

english, 2006

28

On the vibrations of linear C11: A coupled cluster study

Peter Botschwina, Rainer Oswald

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 210 KB

english, 2006

29

Compartmental modeling in photophysics: Identifiability of models for intramolecular three-state excited-state processes

Noël Boens, Frans C. De Schryver

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 353 KB

english, 2006

30

Femtosecond spectroscopic study of carminic acid–DNA interactions

Radu Comanici, Bianca Gabel, Thomas Gustavsson, Dimitra Markovitsi, Christian Cornaggia, Stanislas Pommeret, Catalin Rusu, Carola Kryschi

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 528 KB

english, 2006

31

Theoretical study on the reaction Br + CH2BrCl

Hui Zhang, Bo Liu, Li Wang, Xiao-yang Yu, Ze-sheng Li, Jing-yao Liu, Chia-chung Sun

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 315 KB

english, 2006

32

Sb adsorption on Cu(1 1 0), (1 0 0), and (1 1 1) surfaces

H.Y. Xiao, X.T. Zu, X. He, F. Gao

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 208 KB

english, 2006

33

Ab initio study of the HCCO + NO2 reaction

Justin P. Meyer, John F. Hershberger

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 179 KB

english, 2006

34

IFC

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 74 KB

english, 2006

35

Theoretical potential energy surfaces for excited mercury trimers

Hikaru Kitamura

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 452 KB

english, 2006

36

Infrared vibrational spectra of tert-butyl halides in low-aluminum H-Y Faujasite: Vibrational excitation exchange and other effects of guest–host interactions

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 281 KB

english, 2006

37

On the intramolecular proton transfer of 3-hydroxyflavone in the first singlet excited state: A theoretical study

Ricard Casadesús, Oriol Vendrell, Miquel Moreno, José M. Lluch, Keiji Morokuma

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 317 KB

english, 2006

38

Relaxation rate distribution from frequency or time dependent data

F. Aslani, L. Sjögren

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 535 KB

english, 2006

39

The effect of perturbing gas density on the intensity distribution in rovibrational absorption bands

A.A. Vigasin, S.V. Ivanov

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 202 KB

english, 2006

40

Hydrogenation of C60 at 2 GPa pressure and high temperature

A.V. Talyzin, A. Dzwilewski, B. Sundqvist, Y.O. Tsybin, J.M. Purcell, A.G. Marshall, Y.M. Shulga, C. McCammon, L. Dubrovinsky

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 224 KB

english, 2006

41

Characterization of triblock copolymer E67S15E67–surfactant interactions

Emilio Castro, Pablo Taboada, Víctor Mosquera

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 156 KB

english, 2006

42

Generalized diatomics-in-molecule method applied to the anion

A.K. Belyaev, A.S. Tiukanov, W. Domcke

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 823 KB

english, 2006

43

Photoinduced electron transfer in fullerene triads bearing pyrene and fluorene

Atula S.D. Sandanayaka, Yasuyaki Araki, Osamu Ito, Gollapalli R. Deviprasad, Phillip M. Smith, Lisa M. Rogers, Melvin E. Zandler, Francis D’Souza

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 300 KB

english, 2006

44

First-principles study of lithium adsorption on Si(1 0 0)2 × 1 and Ge(1 0 0)2 × 1 surface at 1.0 monolayer coverage

Z.G. Wang, X.T. Zu, J.L. Nie, H.Y. Xiao

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 291 KB

english, 2006

45

Subject Index

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 111 KB

english, 2006

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