Volume 7; Issue 6

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ChemPhysChem
Volume 7; Issue 6

ChemPhysChem

Volume 7; Issue 6

1

Spin-Density Distribution in the Copper Site of Azurin

Maria Fittipaldi, Gertrud C. M Warmerdam, Ellen C. de Waal, Gerard W. Canters, Davide Cavazzini, Gian Luigi Rossi, Martina Huber, Edgar J. J. Groenen

Journal:

Year:

2006

Language:

english

File:

PDF, 244 KB

english, 2006

2

Hartree–Fock Energy Partitioning in Terms of Hirshfeld Atoms

Marcos Mandado, Christian Van Alsenoy, Paul Geerlings, Frank De Proft, Ricardo A. Mosquera

Journal:

Year:

2006

Language:

english

File:

PDF, 291 KB

english, 2006

3

Spectroscopic and Theoretical Studies of Optically Active Porphyrin Dimers: A System Uninterpretable by Exciton Coupling Theory

Atsuya Muranaka, Yoshiaki Asano, Akihiko Tsuda, Atsuhiro Osuka, Nagao Kobayashi

Journal:

Year:

2006

Language:

english

File:

PDF, 249 KB

english, 2006

4

Mapping Electrochemiluminescence as Generated at Double-Band Microelectrodes by Confocal Microscopy under Steady State

Christian Amatore, Cécile Pebay, Laurent Servant, Néso Sojic, Sabine Szunerits, Laurent Thouin

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Year:

2006

Language:

english

File:

PDF, 166 KB

english, 2006

5

Vibrational Frequencies of Water Adsorbed on (111) and (221) Nickel Surfaces from First Principle Calculations

Tatiana Murakhtina, Luigi Delle Site, Daniel Sebastiani

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Year:

2006

Language:

english

File:

PDF, 209 KB

english, 2006

6

A Crossed Molecular Beam Imaging Study of the O(1D2)+HCl→OH+Cl(2PJ=3/2, 1/2) Reaction

Hiroshi Kohguchi, Toshinori Suzuki

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Year:

2006

Language:

english

File:

PDF, 349 KB

english, 2006

7

Influence of Cluster Size on the Structures and Stability of Trimetallic Nitride Fullerenes M3N@C80

Li-Hua Gan, Ruo Yuan

Journal:

Year:

2006

Language:

english

File:

PDF, 193 KB

english, 2006

8

Determining the Intermolecular Structure in the S0 and S1 States of the Phenol Dimer by Rotationally Resolved Electronic Spectroscopy

Michael Schmitt, Marcel Böhm, Christian Ratzer, Daniel Krügler, Karl Kleinermanns, Ivo Kalkman, Giel Berden, W. Leo Meerts

Journal:

Year:

2006

Language:

english

File:

PDF, 258 KB

english, 2006

9

Density Functional Study of Methyl Chemisorption on Polycyclic Aromatic Hydrocarbons

Barbara V. Unterreiner, Yannick Carissan, Wim Klopper

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Year:

2006

Language:

english

File:

PDF, 239 KB

english, 2006

10

Raman Spectroscopy of Short-Lived Terthiophene Radical Cations Generated by Photochemical and Chemical Oxidation

Tracey M. Clarke, Keith C. Gordon, Wing Sum Chan, David Lee Phillips, Pawel Wagner, David L. Officer

Journal:

Year:

2006

Language:

english

File:

PDF, 343 KB

english, 2006

11

The Theory of Non-Cottrellian Diffusion on the Surface of a Sphere or Truncated Sphere

Mary Thompson, Gregory G. Wildgoose, Richard G. Compton

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Year:

2006

Language:

english

File:

PDF, 255 KB

english, 2006

12

Low-Temperature EPR and Mössbauer Spectroscopy of Two Cytochromes with His–Met Axial Coordination Exhibiting HALS Signals

Giorgio Zoppellaro, Thomas Teschner, Espen Harbitz, Volker Schünemann, Solveig Karlsen, David M. Arciero, Stefano Ciurli, Alfred X. Trautwein, Alan B. Hooper, K. Kristoffer Andersson

Journal:

Year:

2006

Language:

english

File:

PDF, 534 KB

english, 2006

13

Electronic Conduction in the Chiral Nematic Phase of an Oligothiophene Derivative

Masahiro Funahashi, Nobuyuki Tamaoki

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Year:

2006

Language:

english

File:

PDF, 196 KB

english, 2006

14

Theoretical Investigation of the Decarbonylation of Acetaldehyde by Fe+ and Cr+

Lianming Zhao, Wenyue Guo, Rongrong Zhang, Shujuan Wu, Xiaoqing Lu

Journal:

Year:

2006

Language:

english

File:

PDF, 451 KB

english, 2006

15

Effects of Polymer Architecture and Composition on the Adhesion of Poly(tetrafluoroethylene)

Chen-Yuan Tu, Ying-Ling Liu, Min-Tzu Luo, Kueir-Rarn Lee, Juin-Yih Lai

Journal:

Year:

2006

Language:

english

File:

PDF, 210 KB

english, 2006

16

High-Silica Ferrierite Zeolite Self-Transformed from Aluminosilicate Gel

Xiaowei Cheng, Jing Wang, Juan Guo, Jun Sun, Yingcai Long

Journal:

Year:

2006

Language:

english

File:

PDF, 310 KB

english, 2006

17

Ab Initio Molecular Dynamics Study of the Keto–Enol Tautomerism of Acetone in Solution

Clotilde S. Cucinotta , Alice Ruini , Alessandra Catellani , András Stirling

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Year:

2006

Language:

english

File:

PDF, 290 KB

english, 2006

18

Membrane Binding and Structure of De Novo Designed α-Helical Cationic Coiled-Coil-Forming Peptides

Toni Vagt, Olaf Zschörnig, Daniel Huster, Beate Koksch

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Year:

2006

Language:

english

File:

PDF, 220 KB

english, 2006

19

High Density Amorphous Ice from Cubic Ice

Thomas Loerting, Ingrid Kohl, Werner Schustereder, Katrin Winkel, Erwin Mayer

Journal:

Year:

2006

Language:

english

File:

PDF, 99 KB

english, 2006

20

Thermal Expansion of Microstructured DMPC Bilayers Quantified by Temperature-Controlled Atomic Force Microscopy

Steffen Schuy, Andreas Janshoff

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Year:

2006

Language:

english

File:

PDF, 184 KB

english, 2006

21

Femtosecond Dynamics on 2-(2′-Hydroxy-4′-diethylaminophenyl)benzothiazole: Solvent Polarity in the Excited-State Proton Transfer

Yi-Ming Cheng, Shih-Chieh Pu, Chia-Jung Hsu, Chin-Hung Lai, Pi-Tai Chou

Journal:

Year:

2006

Language:

english

File:

PDF, 297 KB

english, 2006

22

Experimental and Theoretical Study of 2,6-Difluorophenylnitrene, Its Radical Cation, and Their Rearrangement Products in Argon Matrices

Claudio Carra, Rafael Nussbaum, Thomas Bally

Journal:

Year:

2006

Language:

english

File:

PDF, 478 KB

english, 2006

23

Car–Parrinello Molecular Dynamics Study of the Blue-Shifted F3CH⋅⋅⋅FCD3 System in Liquid N2

Pawel Rodziewicz, Konstanty S. Rutkowski, Sonia M. Melikova, Aleksander Koll, Francesco Buda

Journal:

Year:

2006

Language:

english

File:

PDF, 255 KB

english, 2006

24

A Parameter-Free Quantum-Mechanical Approach for Calculating Electron-Transfer Rates for Large Systems in Solution

Roberto Improta, Vincenzo Barone, Marshall D. Newton

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Year:

2006

Language:

english

File:

PDF, 106 KB

english, 2006

25

Gas-Phase Spectroscopy of the Unstable Sulfur Diisocyanate Molecule S(NCO)2

Weigang Wang , Maofa Ge, Li Yao , Xiaoqing Zeng , Zheng Sun, Dianxun Wang

Journal:

Year:

2006

Language:

english

File:

PDF, 192 KB

english, 2006

26

Oxygenated Edge Plane Sites Slow the Electron Transfer of the Ferro-/Ferricyanide Redox Couple at Graphite Electrodes

Xiaobo Ji, Craig E. Banks, Alison Crossley, Richard G. Compton

Journal:

Year:

2006

Language:

english

File:

PDF, 225 KB

english, 2006

27

Detection of Single Oxygen Molecules Opens Up New Vistas for the Investigation of Molecular Cooperativity in Hemocyanins

Philip Tinnefeld

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Year:

2006

Language:

english

File:

PDF, 96 KB

english, 2006

28

Passion for Precision (Nobel Lecture)

Theodor W. Hänsch

Journal:

Year:

2006

Language:

english

File:

PDF, 698 KB

english, 2006

29

Cover Picture: High Density Amorphous Ice from Cubic Ice (ChemPhysChem 6/2006)

Thomas Loerting, Ingrid Kohl, Werner Schustereder, Katrin Winkel, Erwin Mayer

Journal:

Year:

2006

File:

PDF, 34 KB

2006

30

Graphical Abstract: ChemPhysChem 6/2006

Journal:

Year:

2006

Language:

english

File:

PDF, 1.37 MB

english, 2006

31

Enhanced Molecular Multipole Moments and Solvent Structure in Supercritical Carbon Dioxide

Moumita Saharay, Sundaram Balasubramanian

Journal:

Year:

2006

File:

PDF, 20 KB

2006

32

Preview: ChemPhysChem 6/2006

Journal:

Year:

2006

File:

PDF, 150 KB

2006