Molecular Force Field of Methanol |
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| Authors: | Y Hase R Forneris S C da Silva |
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| Institution: | 1. Institute de Quimica, Universidade Estadual de Campinas , Caixa Postal 6154, CEP 13081, Campinas, SP, Brazil;2. Instituto de Fisica, Universidade de S?o Paulo , Caixa Postal 20516, CEP 01418, S?o Paulo, SP, Brazil;3. Departamento de Mec[acaron]nica de Precis?o , Faculdade de Tecnologia de S?o Paulo, CEP , 01124-060, S?o Paulo, SP, Brazil;4. Instituto de Fisica, Universidade de S?o Paulo , Caixa Postal 20516, CEP 01418, S?o Paulo, SP, Brazil |
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| Abstract: | Abstract Normal coordinate analysis was carried out on the vapor phase Raman and i.r. spectral data of methanol and its deuterated species to determine a vibrational force field. Based on the results of calculations, the 25-parameter molecular force field was analyzed and compared with the earlier studies and the vibrational band assignments were discussed in terms of the vibrational mode mixings, particularly, in the wavenumber region below 1500 cm?1. |
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| Keywords: | Normal coordinate analysis Force field Methanol |
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