期刊
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
卷 854, 期 1-3, 页码 31-34出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.theochem.2007.12.026
关键词
electric field; single molecule detection; C-20
The effect of electric field on single molecule of C-20 in a standing wave laser field is studied. Quantum chemical computations were performed to calculate several properties of C-20. The current study shows that the electric field changes the moments of inertia, bond lengths, dipole moment, force constants, vibrational frequencies, and orientation of C-20. These results confirm that in single molecule experiments the interaction between the molecule and the probing system cannot be neglected. (c) 2007 Elsevier B.V. All rights reserved.
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