نتایج جستجو برای: chang method

تعداد نتایج: 1635805  

Journal: :مجلة دراسات إقلیمیة 2010

Journal: :Sri Lanka Journal of Economic Research 2018

Journal: :The Journal of the Korea Contents Association 2015

Journal: :International Journal of Angiology 2014

Journal: :Biochemistry and Molecular Biology Education 2005

Journal: :Journal of chemical theory and computation 2006
H Bernhard Schlegel Jason L Sonnenberg

A new method for constructing empirical valence bond potential energy surfaces for reactions is presented. Building on the generalized Gaussian approach of Chang-Miller, V12(2)(q) is represented by a Gaussian times a polynomial at the transition state and generalized to handle any number of data points on the potential energy surface. The method is applied to two model surfaces and the HCN isom...

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