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Chemical Design Limited

Chem-X, developed and distributed by Chemical Design Limited, Oxford, England. Geistiger J. Marsili M. Iterative partial equalization of orbital electronegativity-a rapid access to atomic charges. Tetrahedron 1980 36 3219-3228. [Pg.310]

N. C. Perry, Patricia R. Laurence (Chemical Design Limited), and E. K. Davies... [Pg.429]

Dalby A, J G Nourse, W D Hounshell, A K I Gushurst, D L Grier, B A Leland and J Laufer 1991 Description of Several Chemical Structure File Formats Used by Computer Programs Developei at Molecular Design Limited, journal of Chemical Information and Computer Science 32 244-255. [Pg.737]

MACCS/ISIS Databases and DB management systems Daylight Chemical Infor-mation Systems Molecular Design Limited, Inc. (MDLI)... [Pg.169]

Chemical Designation - A list of common synonyms is given. Synonym names are alternative systematic chemical names and commonly used trivial names for chemicals. An index of synonyms is provided at the end of the handbook to assist the reader in identifying a particular chemical and researching chemical hazards information in the event that the common name of the chemical is not known. The data field also contains the chemical formula. The chemical formula is limited to a commonly used one-line formula. In the case of some organic chemical compounds it has not been possible to represent the chemical structure within such limitation. [Pg.438]

Does die proposed change encourage or require die operation of equipment outside of the approved operadng or design limits of the chemical processing equipment ... [Pg.25]

B. A., Laufer, J. Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited. J. Chem. Inf. Comput. Sci. 1992, 32, 244-255. [Pg.181]

Traditionally, potentiometric sensors are distinguished by the membrane material. Glass electrodes are very well established especially in the detection of H+. However, fine-tuning of the potentiometric response of this type of membrane is chemically difficult. Solid-state membranes such as silver halides or metal sulphides are also well established for a number of cations and anions [25,26]. Their LOD is ideally a direct function of the solubility product of the materials [27], but it is often limited by dissolution of impurities [28-30]. Polymeric membrane-based ISEs are a group of the most versatile and widespread potentiometric sensors. Their versatility is based on the possibility of chemical tuning because the selectivity is based on the extraction of an ion into a polymer and its complexation with a receptor that can be chemically designed. Most research has been done on polymer-based ISEs and the remainder of this work will focus on this sensor type. [Pg.28]

A catalyst design strategy based on ternary metal oxides with catalytic and chemical constraints limited the desired set of catalyst compositions to about 100000, a number that could be tested in the scanning mass spectrometer [46]. A feed gas mixture of C2H6, 02, and Ar (4 1 5) was created using a set of digital... [Pg.79]

Process integrity addresses the reactions, physical chemistry, and dynamics of a plant s operation. If these are allowed to mn out of control or exceed standards, process conditions may exceed the mechanical design limits of the equipment. Some of the following approaches and methods used to assure process integrity are described in Guidelines for Technical Management of Chemical Process Safety (CCPS, 1989b) ... [Pg.11]

To prevent (or limit) condensable vapors from getting to a pump, traps [either of chilled or chemical design (see Sec. 7.4 on traps and foreline traps)], are used. Depending on the type of trap used, there are opportunities for vapors to pass on to the mechanical pump. Thus, one cannot depend fully on traps of any kind, and one must also deal with vapors at the pump itself. [Pg.355]


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