Australian Journal of Chemistry
Volume 57 Number 12 2004
Special IssueComputational Chemistry and Spectroscopy
CH04115 Fluctuations Relations for Nonequilibrium Systems
Debra J. Searles and Denis J. Evans
pp. 1119-1123
CH04083 A Quantum-Chemical Approach to Understanding Reversible Addition Fragmentation Chain-Transfer Polymerization
Michelle L. Coote
pp. 1125-1132
CH04132 Molecular Electronics: From Basic Chemical Principles to Photosynthesis to Steady-State Through-Molecule Conductivity to Computer Architectures
Jeffrey R. Reimers, Ante Bilić, Zheng-Li Cai, Mats Dahlbom, Nicholas A. Lambropoulos, Gemma C. Solomon, Maxwell J. Crossley and Noel S. Hush
pp. 1133-1138
CH04137 Fourier Transform Infrared Imaging and Unsupervised Hierarchical Clustering Applied to Cervical Biopsies
Keith R. Bambery, Bayden R. Wood, Michael A. Quinn and Don McNaughton
pp. 1139-1143
CH04118 Infrared Spectroscopy of Solvation and Isomers in Fe+(H2O)1,2Arm Complexes
Richard S. Walters and Michael A. Duncan
pp. 1145-1148
CH04120 Chiral Recognition in Jet-Cooled Complexes
Nathalie Seurre, Katia Le Barbu-Debus, Françoise Lahmani, Nicole Borho, Martin A. Suhm and Anne Zehnacker
pp. 1149-1152
CH04082 Comparative Studies of H+(C6H6)(H2O)1,2 and H+(C5H5N)(H2O)1,2 by DFT Calculations and IR Spectroscopy
Chanchal Chaudhuri, Chih-Che Wu, Jyh-Chiang Jiang and Huan-Cheng Chang
pp. 1153-1156
CH04149 Structures of F–-(CH4)n and Cl–-(CH4)n (n = 1,2) Anion Clusters Elucidated through Ab Initio Calculations and Infrared Spectra
Zoë M. Loh, Rosemary L. Wilson, Duncan A. Wild, Evan J. Bieske and Mark S. Gordon
pp. 1157-1160
CH04117 Photodissociation Dynamics of Vinyl Chloride Investigated with a Pulsed Slit-Jet and Time-Resolved Fourier-Transform Spectroscopy
Mohammed Bahou and Yuan-Pern Lee
pp. 1161-1164
CH04121 Solvation Structure of NaI on the Surface of Ethanol Solution
Fumitaka Mafuné and Tamotsu Kondow
pp. 1165-1167
CH04133 Single Photon Emission from a Dendrimer Containing Eight Perylene Diimide Chromophores
Toby D. M. Bell, Satoshi Habuchi, Sadahiro Masuo, Ingo Österling, Klaus Müllen, Phillip Tinnefeld, Markus Sauer, Mark van der Auweraer, Johan Hofkens and Frans C. De Schryver
pp. 1169-1173
CH04087 Mechanisms of Excimer Formation in Poly(acenaphthylene)
Ming Chen, Kenneth P. Ghiggino, Trevor A. Smith, San H. Thang and Gerard J. Wilson
pp. 1175-1177
CH04140 The Native Reaction Centre of Photosystem II: A New Paradigm for P680
Joseph L. Hughes, Barry J. Prince, Sindra Peterson Årsköld, Paul J. Smith, Ron J. Pace, Hans Riesen and Elmars Krausz
pp. 1179-1183
CH04155 NMR Studies of Nanoscale Organization and Dynamics in Polymer Electrolytes
William S. Price, Yuichi Aihara and Kikuko Hayamizu
pp. 1185-1190
CH04122 DFT Calculations on Group 5 Mixed Metal Tetramers: TaxNbyVz (x + y + z = 4)
Matthew A. Addicoat, Mark A. Buntine and Gregory F. Metha
pp. 1197-1203
CH04159 An Assessment of Theoretical Protocols for Calculation of the pKa Values of the Prototype Imidazolium Cation
Alison M. Magill and Brian F. Yates
pp. 1205-1210
CH04125 Counter-Ion Effects and Interfacial Properties of Aqueous Tetrabutylammonium Halide Solutions
Luboš Vrbka and Pavel Jungwirth
pp. 1211-1217
CH04103 A Density Functional Theory Study of the Iron-Binding Site of Human Serum Transferrin
David Rinaldo and Martin J. Field
pp. 1219-1222
CH04164 Double Proton Transfer using Dissociable Force Fields
Sven Lammers and Markus Meuwly
pp. 1223-1228
CH04135 Quantum Monte Carlo Study of Water Molecule: A Preliminary Investigation
Nicole A. Benedek, Irene Yarovsky, Kay Latham and Ian K. Snook
pp. 1229-1232
CH04127 Feasibility Study of Direct Measurement of Two-Photon Absorption Cross-Sections
Craig Richmond
pp. 1233-1233
