TY  - JOUR
AU  - Álvarez Ros, Margarita
AU  - Alcolea Palafox, Mauricio
PY  - 2014
DO  - 10.3390/ph7060695
SN  - 1424-8247
UR  - https://hdl.handle.net/20.500.14352/34367
T2  - Pharmaceuticals
AB  - The five tautomers of the drug acyclovir (ACV) were determined and optimised at the MP2 and B3LYP quantum chemical levels of theory. The stability of the tautomers was correlated with different parameters. On the most stable tautomer N1 was carried...
LA  - eng
M2  - 695
PB  - MDPI
KW  - acyclovir
KW  - 9-(2-hydroxyethoxymethyl) guanine
KW  - tautomer
KW  - antiviral drug
KW  - conformational analysis
KW  - Zovirax
TI  - Conformational Analysis, Molecular Structure and Solid State Simulation of the Antiviral Drug Acyclovir (Zovirax) Using Density Functional Theory Methods
TY  - journal article
VL  - 7
ER  -