THEORETICAL STUDY OF VARIOUS SOLVENTS EFFECT ON 5-FLUOROURACIL-VITAMIN B3 COMPLEX USING PCM METHOD
ABSTRACT In this article, a detailed study of the solvent effects on the stability order, binding energy and hydrogen bond strength in 5-Fluorouracil-Vitamin B3 (FU–VB) complex is performed using M05-2X method with 6-311++G(d,p) basis set. Based on the average of the calculated H-bond ener...
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| Langue: | English |
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Sociedad Chilena de Química
2019
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| Accès en ligne: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072019000104337 |
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