Vibrational spectral analysis, computation of thermodynamic functions for various temperatures and NBO analysis of 2,3,4,5-tetrachlorophenol using ab initio HF and DFT calculations

✍ Scribed by V. Balachandran; S. Rajeswari; S. Lalitha

• Book ID: 118740675
• Publisher: Elsevier Science
• Year: 2013
• Tongue: English
• Weight: 1002 KB
• Volume: 101
• Category: Article
• ISSN: 1386-1425
• DOI: 10.1016/j.saa.2012.09.102