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Publications from using the Service

P. J. O'Malley, "Hybrid density functional studies of pheophytin anion radicals: Implications for initial electron transfer in photosynthetic reaction centers", J. Phys. Chem. B, 104, 2176 - 2182, 2000.

P. Roussel, D. R. Cary, S. Barlow, J. C. Green, F. Varret and D. O'Hare, "Ligand-Centered Oxidation in a Diiron s-Indacene Complex", Organometallics, 19, 1071 - 1076, 2000.

A. Berenbaum, H. Braunschweig, R. Dirk, U. Englert, J. C. Green, F. Jäkle and I. Manners, "Synthesis, Electronic Structure, and Novel Reactivity of Strained, Boron-Bridged [1]Ferrocenophanes", J. Am. Chem. Soc., 122, 5765 - 5774, 2000.

F. G. N. Cloke, J.C. Green, J. R. Hanks, J. F. Nixon, and J. L. Suter, "Photoelectron spectrocopy and electronic structure of the hexaphosphatitanocene [Ti(h-P3C2But2)2]", J. Chem. Soc. Dalton Trans., 20, 3534 - 3536, 2000.

Y. Lee, P. Kent, M. D. Towler, R. Needs and G. Rajagopal, "Pseudopotentials for Corellated Electron Calculations", Phys. Rev. B, 62, 15394, 2000.

P. B. Karadakov, D. L. Cooper, T. Thorsteinsson and J. Gerratt, "Modern Valence-Bond Description of the Mechanisms of Six-Electron Pericyclic Reactions", Quantum Systems in Chemistry and Physics, Volume 1: Basic Problems and Model Systems, edited by A. Hernández-Laguna, J. Maruani, R. McWeeny and S. Wilson, Kluwer, Dordrecht, 327, 2000.

E. P. F. Lee, J. M. Dyke, D. K. W. Mok, R. P. Claridge and F. T. Chau, "An ab initio study of the low-lying doublet states of linear and T-shaped Ga center dot N-2", J. Phys. Chem. A, 104, 11810, 2000.

D. C. Wang, E. P. F. Lee, F. T. Chau, D. K. W. Mok and J. M. Dyke, "The (X)over-tilde(2)B(1), (A)over-tilde(2)B(2), (B)over-tilde(2)A(1), and (C)over-tilde(2)A(2) states of Cl2O+: ab initio calculations and simulations of the HeI photoelectron spectrum", J. Phys. Chem. A, 104, 4936 - 4942, 2000.

F. T. Chau, E. P. F. Lee, D. K. W. Mok, D. C. Wang and J. M. Dyke, "Simulation of photoelectron and electronic spectra of small molecules", J. Electron. Spec. Rel. Phenom., 108, 75 - 88, 2000.

S. L. Hinchley, C. A. Morrison, D. W. H. Rankin, C. L. B. Macdonald, R. J. Wiacek, A. H. Cowley, M. F. Lappert, G. Gundersen, J. A. C. Clyburne and P. P. Power, "Persistent phosphinyl radicals from a bulky diphosphine: an example of a molecular jack-in-the-box", Chem. Commun., 20, 2045, 2000.

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