Murray

Waddams, A. L., Chemicals from Petroleum, John Murray, London, 1978. 

In the United States For a complete list of books available from Penguin in the U.S., please write to Dept BA, Penguin, 299 Murray Hill Parkway, East Rutherford, New Jersey 07073... 

Miller T M, Leopold D G, Murray K K and Lineberger W C 1986 Electron affinities of the alkali halides and the structure of their negative ions J. Chem. Phys. 85 2368-75... 

Hostetler M J, Stokes J J and Murray R W 1996 Infrared speotrosoopy of three-dimensional self-assembled monolayers n-alkanethiolate monolayers on gold oluster oompounds Langmuir M 3604... 

Murray C B, Kagan C R and Bawendi M G 1995 Self-organization of CdSe nanoorystallites into three-dimensional quantum dot superlattioes Science 270 1335... 

Sun S and Murray C B 1999 Synthesis of monodisperse cobalt nanocrystais and their assembly into magnetic superlattices J. Appl. Phys. 85 4325... 

P.E. Gill, W. Murray and M.H. Wright, Practical optimization, Acad. Press, London 1981. 

A SMILES code [22], MDL Molfile [50], or JME s own compact format (one-line representation of a molecule or reaction including the 2D coordinates) of created molecules may be generated. The created SMILES is independent of the way the molecule was drawn (unique SMILES see Section 2.3.3). Extensions to JME developed in cooperation with H. Rzepa and P. Murray-Rust also allow output of molecules in the CML format [60]. 

The MEP at the molecular surface has been used for many QSAR and QSPR applications. Quantum mechanically calculated MEPs are more detailed and accurate at the important areas of the surface than those derived from net atomic charges and are therefore usually preferable [Ij. However, any of the techniques based on MEPs calculated from net atomic charges can be used for full quantum mechanical calculations, and vice versa. The best-known descriptors based on the statistics of the MEP at the molecular surface are those introduced by Murray and Politzer [44]. These were originally formulated for DFT calculations using an isodensity surface. They have also been used very extensively with semi-empirical MO techniques and solvent-accessible surfaces [1, 2]. The charged polar surface area (CPSA) descriptors proposed by Stanton and Jurs [45] are also based on charges derived from semi-empirical MO calculations. 

Gill. P.H. . Murray. W., Wright, M.H, Practical Optimization, Academic Press. Inc., New York.1981... 

Murray-Rust P and H Rzepa 1999. Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles. Journal of Chemical Information and Computer Science 39 923-942. 

P E and W Murray 1981. Practical Optimization. London, Academic Press. 

Clark D E, C W Murray and J Li 1997. Current Issues in De Novo Molecular Design. In Lipkowitz K B and D B Boyd (Editors) Reviews in Computational Chemistry Volume 11. New York, VCH Publishers, pp. 67-125. 

A, C W Murray, D E Clark, D R Westhead and M D Eldridge 1998. Flexible Docking using Tabu rch and an Empirical Estimate of Binding Affinity. Proteins Structure, Function and Genetics 167-382. 

Eldridge M D, C W Murray, T R Auton, G V Paoliniand R P Mee 1997. Empirical Scoring Functions 1 The Development of a Fast Empirical Scoring Fimction to Estimate the Binding Affinity of Ligand in Receptor Complexes. Journal of Computer-Aided Molecular Design 11 425-445. 

J. S. Murray, P. Politzer, Theoretical Orqanic Chemistry C. Parkanyi, Ed., 189, Elsevier, Amsterdam (1998). 

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