Obtaining scaled-refined quantum mechanical force fields for large molecules: naphthalene and anthracene
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference18 articles.
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4. Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene
5. Standard procedure to obtain a convenient set of scale factors in the SQMFF method
Cited by 2 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Application of the multi-parameter SQM harmonic force field, and ESFF harmonic frequencies scaling procedures to the determination of the vibrational spectra of silicon- and sulfur(II)-containing compounds;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2012-02
2. Some Aspects of the Implementation of Scaling Quantum Mechanical Molecular Force Fields;Structural Chemistry;2004-04
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