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Theoretical Study of the CN* with Saturated Hydrocarbons Reactions
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.
Чем привлекает иностранных студентов образование в Финляндии?
PОбъяснить превосходство Финской школы в образовании довольно сложно. Финляндия обладает красивыми зданиями университетов, имеет хорошо подготовленных учителей, современные тех...
