Molecular structure and vibrational spectra of 2-Ethoxymethyl-6-ethyl-2,3, 4,5-tetrahydro-1,2,4-triazine-3,5-dione, a potential chemotherapeutic agent, by density functional methods

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 133, Issue , 2014, Pages 439-448

  Mary, Y Shyma ^a   Al Tamimi, Abdul Malek S ^b   El Brollosy, Nasser R ^c   El Emam, Ali A ^c   Jojo, P J ^d   Panicker, C Yohannan ^e   Alsenoy, Christian Van ^f  

^a BHARATHIAR UNIVERSITY   (India)

^b PRINCE SATTAM BIN ABDULAZIZ UNIVERSITY   (Saudi Arabia)

^c KING SAUD UNIVERSITY   (Saudi Arabia)

^d FATIMA MATA NATIONAL COLLEGE   (India)

^e TKM COLLEGE OF ARTS AND SCIENCE   (India)

^f UNIVERSITY OF ANTWERP   (Belgium)

Author keywords

Chemotherapeutic agent; FT IR; FT Raman; MEP; PED; Triazine

Indexed keywords

MOLECULES; SPECTRUM ANALYSIS;

CHEMOTHERAPEUTIC AGENTS; FT-IR; FT-RAMAN; MEP; PED; TRIAZINE;

DENSITY FUNCTIONAL THEORY;

1,2,4-TRIAZINE; ANTINEOPLASTIC AGENT; TRIAZINE DERIVATIVE;

CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY;

ANTINEOPLASTIC AGENTS; MODELS, MOLECULAR; QUANTUM THEORY; SOFTWARE; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; TRIAZINES;

EID: 84903270994     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2014.06.053     Document Type: Article

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