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Anglický jazyk
Theoretical Study of the CN* with Saturated Hydrocarbons Reactions
Autor: Yangjun (Kevin) Liu
If 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... Viac o knihe
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O knihe
If 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.
- Vydavateľstvo: LAP LAMBERT Academic Publishing
- Rok vydania: 2015
- Formát: Paperback
- Rozmer: 220 x 150 mm
- Jazyk: Anglický jazyk
- ISBN: 9783659685620
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