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Essentials of computational chemistry : theories and models / par Cramer,, Christopher J., Publication : Chichester, West Sussex, England ; | Hoboken, NJ : Wiley, 2004 . xx, 596 p. : 25 cm. Date : 2004 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

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European symposium on computer aided process engineering - 15 : 38th european symposium of the working party on computer aided process engineering.   Publication : [S.l.] : Elsevier Science, 2005 . 1718 p. ; , This proceedings book contains papers presented at the 15th European Symposium on Computer Aided Process Engineering (ESCAPE-15), held in Barcelona, Spain, from May 29-June 1, 2004. These proceedings consist of two volumes, which include the contributed papers organised in five classes paralleling the five themes of the Symposium. A complementary CD-ROM contains all the papers presented at the symposium. The ESCAPE (European Symposium on Computer Aided Process Engineering) series brings the latest innovations and achievements by leading professionals. The series acts as a forum for engineers, scientists, researchers, managers, and students from academia and industry to present and discuss progress being made in research and application of CAPE. ESCAPE-15 has focused on recent developments of New Systems Methodologies and Computer Aided Applications in Process Engineering in general and in the following areas of chemical engineering in particular: Computing methods for CAPE Modelling and simulation Process and product design Process operation and control Integrated approaches in CAPE * Provides this year's comprehensive overview of the current state of affairs in the CAPE community * Includes a complementary CD-ROM containing all the papers presented at the symposium * Contains reports from the frontiers of science by the field's most respected scientists. 25 cm. Date : 2005 Disponibilité : Exemplaires disponibles: La bibliothèque des sciences de l'ingénieur (1),

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Knowledge-based expert systems in chemistry : not counting on computers / par Judson,, Philip. Publication : Cambridge : RSC Pub., 2009 . x, 211 pages : 25 cm. Date : 2009 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

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Polygons, polyominoes and polycubes   Publication : [S.l.] Springer 2009 . 518 p. , This unique book gives a comprehensive account of new mathematical tools used to solve polygon problems. In the 20th and 21st centuries, many problems in mathematics, theoretical physics and theoretical chemistry – and more recently in molecular biology and bio-informatics – can be expressed as counting problems, in which specified graphs, or shapes, are counted. One very special class of shapes is that of polygons. These are closed, connected paths in space. We usually sketch them in two-dimensions, but they can exist in any dimension. The typical questions asked include "how many are there of a given perimeter?", "how big is the average polygon of given perimeter?", and corresponding questions about the area or volume enclosed. That is to say "how many enclosing a given area?" and "how large is an average polygon of given area?" Simple though these questions are to pose, they are extraordinarily difficult to answer. They are important questions because of the application of polygon, and the related problems of polyomino and polycube counting, to phenomena occurring in the natural world, and also because the study of these problems has been responsible for the development of powerful new techniques in mathematics and mathematical physics, as well as in computer science. These new techniques then find application more broadly. The book brings together chapters from many of the major contributors in the field. An introductory chapter giving the history of the problem is followed by fourteen further chapters describing particular aspects of the problem, and applications to biology, to surface phenomena and to computer enumeration methods. 24 cm. Date : 2009 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

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Annual reports in computational chemistry. Vol. 9 / par Wheeler, Ralph A. Publication : . 1 online resource. Disponibilité :  http://www.sciencedirect.com/science/book/9780444626721,

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