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Volumn 31, Issue 7, 2000, Pages 595-603

Fourier transform Raman spectrum and ab initio and density functional computations of the vibrational spectrum, molecular geometry, atomic charges and some molecular properties of the anticarcinogenic drug 5-fluorouracil

(5) Rastogi, V K a Jain, Vaibhav b Yadav, R A c Singh, Chatar d Alcolea Palafox, M e

a LR College (India)

b D A V COLLEGE (India)

c BANARAS HINDU UNIVERSITY (India)

d DAV College Muzaffarnagar (India)

e UNIVERSIDAD COMPLUTENSE DE MADRID (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY; GEOMETRY; MOLECULAR STRUCTURE; RAMAN SCATTERING; RIGID ROTORS; SPECIFIC HEAT; VIBRATIONAL SPECTRA;

5-FLUOROURACIL; AB INITIO; ATOMIC CHARGE; DENSITY FUNCTIONAL COMPUTATIONS; FOURIER TRANSFORM RAMAN; FT-RAMAN; MOLECULAR GEOMETRIES; MOLECULAR PROPERTIES; RAMAN STUDIES; WAVE NUMBERS;

ENTROPY;

ANTINEOPLASTIC AGENT; FLUOROURACIL;

DENSITY; DIPOLE; ENERGY; ENTROPY; GEOMETRY; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; RAMAN SPECTROMETRY; REVIEW; ROTATION; THERMODYNAMICS; VIBRATION;

EID: 0033646321 PISSN: 03770486 EISSN: None Source Type: Journal
DOI: 10.1002/1097-4555(200007)31:7<595::AID-JRS582>3.0.CO;2-9 Document Type: Review

Times cited : (55)

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