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Born-Oppenheimer failure in the separation of low-frequency molecular vibrations

✍ Scribed by Mills, Ian M.

Book ID
121398325
Publisher
American Chemical Society
Year
1984
Tongue
English
Weight
611 KB
Volume
88
Category
Article
ISSN
0022-3654

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Calculation of Rotation–Vibration Energy Levels in Ground State C3by a Born–Oppenheimer-Type Separation of the Vibrational Motions
✍ V. špirko; Markus Mengel; Per Jensen 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 330 KB

has been used to determine effective bending potentials and reduced masses for C 3 in the lowest stretching vibrational states by performing a Born-Oppenheimer separation of the bending and stretching motions. These calculations were based on a potential energy function obtained in a least-squares f