{"product_id":"theoretical-study-of-the-cn-with-saturated-hydrocarbons-reactions-von-yangjun-kevin-liu","title":"Theoretical Study of the CN* with Saturated Hydrocarbons Reactions","description":"\u003cp\u003eIf you are looking for a case study of applied computational chemistry, you've found one. The \"Theoretical study of CN* with saturated Hydrocarbons reaction\" covers examples of using theoretical quantum chemistry computation to study the CN + H2, CN + CH4 and CN + C2H6 reaction path dynamics. How vibration energy is disposed through reaction path, how bending mode is excited and how new bonds are formed? This study gives a theoretical view. In the appendix of this book, the author has provided detailed guidance of how to use the computational chemistry software - \"Gaussian\" to model different reactions and included a Fortran program to compute the vibrational state energies in HCN molecule. These will be very tutorial for entry level students in computational chemistry field.\u003c\/p\u003e\u003cdiv class=\"aw-variant-hidden-subtitle-div\" id=\"aw-variant-subtitle-9783659685620\"\u003e\u003ch3\u003e\u003c\/h3\u003e\u003c\/div\u003e","brand":"Libri","offers":[{"title":"Softcover - 9783659685620","offer_id":39449762529373,"sku":"9783659685620","price":76.9,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0940\/0622\/files\/760bb8f6-91b0-4e82-ab97-d7eb445e45f1.jpg?v=1772777863","url":"https:\/\/shop.autorenwelt.de\/products\/theoretical-study-of-the-cn-with-saturated-hydrocarbons-reactions-von-yangjun-kevin-liu","provider":"Autorenwelt Shop","version":"1.0","type":"link"}