Spectroscopic, quantum mechanical, electronic excitation properties (Ethanol solvent), DFT investigations and molecular docking analysis of an anti-cancer drug Bendamustine

Global cancer statistics 2020: GLOBOCAN estimates of incidence and mortality worldwide for 36 cancers in 185 countries

(2021) Hyuna Sung et al.   CA-A CANCER JOURNAL FOR CLINICIANS

Structural and functional studies of 1-phenylcyclopentane carboxylic acid a potential anti-cancer drug by spectroscopic, quantum chemical and molecular docking methods

(2019) BR. Raajaraman et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Spectral, DFT and molecular docking investigations on Etodolac

(2019) B. Amul et al.   JOURNAL OF MOLECULAR STRUCTURE

Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions

(2019) Pablo Gaztañaga et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

Spectroscopic and DFT studies, structural determination, chemical properties and molecular docking of 1-(3-bromo-2-thienyl)-3-[4-(dimethylamino)-phenyl]prop-2-en-1-one

(2019) P. Ramesh et al.   JOURNAL OF MOLECULAR STRUCTURE

Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro-2-phenoxymethyl benzimidazole

(2017) Vidya V. Menon et al.   JOURNAL OF MOLECULAR STRUCTURE

Spectroscopic (FT-IR, FT-Raman, UV–Visible) and quantum chemical studies of 4-Chloro-3-iodobenzophenone

(2017) K. Venkata Prasad et al.   JOURNAL OF MOLECULAR STRUCTURE

FT-IR, FT-Raman, dispersive Raman, NMR spectroscopic studies and NBO analysis of 2-Bromo-1H-Benzimidazol by density functional method

(2015) E.B. Sas et al.   JOURNAL OF MOLECULAR STRUCTURE

Spectroscopic studies (FT-IR, FT-Raman, UV–Visible), normal co-ordinate analysis, first-order hyperpolarizability and HOMO, LUMO studies of 3,4-dichlorobenzophenone by using Density Functional Methods

(2015) K. Venkata Prasad et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

A study of vibrational spectra and investigations of charge transfer and chemical bonding features of 2-chloro benzimidazole based on DFT computations

(2015) S. Muthunatesan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Vibrational spectroscopic (FTIR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charge analyses of 2-ethylimidazole based on Hartree–Fock and DFT calculations

(2015) M. Arivazhagan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Quantum mechanical and spectroscopic (FT-IR, FT-Raman, 1H NMR and UV) investigations of 2-(phenoxymethyl)benzimidazole

(2014) Y. Shyma Mary et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Quantum chemical vibrational study, molecular property, FTIR, FT-Raman spectra, NBO, HOMO–LUMO energies and thermodynamic properties of 1-methyl-2-phenyl benzimidazole

(2014) M. Karnan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

NBO 6.0: Natural bond orbital analysis program

(2013) Eric D. Glendening et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

FT-IR, dispersive Raman, NMR, DFT and antimicrobial activity studies on 2-(Thiophen-2-yl)-1H-benzo[d]imidazole

(2013) Arslan Ünal et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Theoretical investigations on the molecular structure, vibrational spectra, HOMO–LUMO and NBO analysis of 5-chloro-2-((4-chlorophenoxy)methyl)benzimidazole

(2013) Y. Shyma Mary et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Natural bond orbital analysis: A critical overview of relationships to alternative bonding perspectives

(2012) Frank Weinhold   JOURNAL OF COMPUTATIONAL CHEMISTRY

Vibrational, electronic and quantum chemical studies of 5-benzimidazole carboxylic acid

(2012) V. Arjunan et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, molecular structure and spectral analysis: DFT–TDDFT computational study of ruthenium complex of tetradentate N,N′-bis(benzimidazole-2yl-ethyl)-ethylenediamine

(2011) Hernández J. Guadalupe et al.   JOURNAL OF MOLECULAR STRUCTURE

Natural bond orbital methods

(2011) Eric D. Glendening et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Molecular structure and vibrational spectra of 3-chloro-4-fluoro benzonitrile by ab initio HF and density functional method

(2008) N. Sundaraganesan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY