Physical Theoretical Chemistry

Download PDF by Herbert DaCosta,Maohong Fan: Rate Constant Calculation for Thermal Reactions: Methods and

By Herbert DaCosta,Maohong Fan

ISBN-10: 0470582308

ISBN-13: 9780470582305

offering an outline of the newest computational methods to estimate price constants for thermal reactions, this publication addresses the theories at the back of a number of first-principle and approximation equipment that experience emerged within the final two decades with validation examples. It offers in-depth functions of these theories to quite a lot of easy and utilized study parts. whilst doing modeling and simulation of chemical reactions (as in lots of different cases), one frequently has to compromise among higher-accuracy/higher-precision techniques (which tend to be time-consuming) and approximate/lower-precision techniques (which usually has the benefit of pace in supplying results). This e-book covers either methods. it truly is augmented through a wide-range of functions of the above the way to gasoline combustion, unimolecular and bimolecular reactions, isomerization, polymerization, and to emission regulate of nitrogen oxides. an exceptional source for lecturers and individuals in actual chemistry, chemical engineering, and comparable fields.

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Rate Constant Calculation for Thermal Reactions: Methods and Applications by Herbert DaCosta,Maohong Fan


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