Quantum molecular dynamic approach to modeling the vibrational spectra of propynenitrile and its 1:1 complexes with water
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference51 articles.
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4. Vibrational energy levels of hydrogen cyanide;Dunn;J. Chem. Phys.,1986
5. Rovibrational Bound States in Polyatomic Molecules;Carter,1999
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. Vibrational Spectrum of ‘3-iodo-2-propynenitrile (IC3N)’ from accurate CCSD(T)-F12b/MP2-F12 potential energy surface;Theoretical Chemistry Accounts;2022-10-14
2. CCSD(T)-F12 calculations of the IR spectrum of cyanoacetylene HC3N beyond the harmonic approximation;Chemical Physics Letters;2020-09
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