Spectroscopic, Quantum Mechanical, electronic excitation properties (Ethanol solvent), DFT investigations and Molecular docking analysis of an anti-cancer drug Bendamustine

P.Venkata Ramana, Tom Sundius, S. Muthu, Y. Rama Krishna, K.Venkata Prasad, R. Niranjana Devi, Ahmad Irfan, C Santhamma

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
Article number132211
JournalJournal of Molecular Structure
Volume1253
Number of pages24
ISSN0022-2860
DOIs
Publication statusPublished - 5 Apr 2022
MoE publication typeA1 Journal article-refereed

Fields of Science

  • 114 Physical sciences
  • IR
  • Raman
  • UV
  • DFT
  • NBO
  • Fukui functions
  • Molecular docking
  • BROMOBENZENE DERIVATIVES
  • NBO ANALYSIS
  • FT-RAMAN
  • AB-INITIO
  • HOMO-LUMO
  • VIBRATIONAL-SPECTRA
  • FORCE-FIELDS
  • BOND ORBITAL ANALYSIS
  • DISPERSIVE RAMAN
  • DENSITY-FUNCTIONAL THEORY

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