Molecular structure and effects of intermolecular hydrogen bonding on the vibrational spectrum of trifluorothymine, an antitumor and antiviral agent

Journal of Molecular Modeling

Volumn 18, Issue 9, 2012, Pages 4453-4464

  Çirak, Çagri ^a   Koç, Nurettin ^a  

^a ERZINCAN UNIVERSITY   (Turkey)

Author keywords

Antitumor agent; DFT; FT IR; Hartree Fock; Hydrogen bonding; Micro Raman spectroscopy; Trifluorothymine

Indexed keywords

ANTINEOPLASTIC AGENT; ANTIVIRUS AGENT; HYDROGEN; TRIFLUOROTHYMINE; UNCLASSIFIED DRUG;

ARTICLE; DENSITY; DRUG STRUCTURE; GEOMETRY; HYDROGEN BOND; PRIORITY JOURNAL; RAMAN SPECTROMETRY; SIMULATION; VIBRATION;

ANTINEOPLASTIC AGENTS; ANTIVIRAL AGENTS; DIMERIZATION; HYDROGEN BONDING; MOLECULAR CONFORMATION; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; THYMINE; VIBRATION;

EID: 84867571323     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1449-5     Document Type: Article

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