| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1410208 | Journal of Molecular Structure | 2011 | 11 Pages |
Abstract
⺠Density Functional Theory to study the effect of hydrogen bonding in 2-thiohydantoin. ⺠Experimental and theoretical UV, NMR and vibrational spectra of 2-thiohydantoin are investigated. ⺠A remarkable shift in the stretching frequencies of NH and CO bands on moving from isolated state to tetramer forms. ⺠The role of solvent effect in UV spectra using PCM-TD-DFT is analyzed.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Anamika Sharma, Vineet Gupta, Rashmi Mishra, Poonam Tandon, Shiro Maeda, Ko-Ki Kunimoto,