Ab initio study of opto electric properties of the molecules pyrimethamine and sulfadoxine

Ab initio study of opto electric properties of the molecules pyrimethamine and sulfadoxine

The optical and electrical properties of the molecules pyrimethamine and sulfadoxine in gas phase and in different mediums (water and ethanol) were calculated using density-functional theory at the B3LYP level and the Restricted Hartree–Fock (RHF) level by employing 6-311++G∗∗ basis set. The dipole...

पूर्ण विवरण

ग्रंथसूची विवरण
मुख्य लेखकों: S. Nouemo, W.E. Geh, F. Tchoffo, J.M.B. Ndjaka, S. Domngang
स्वरूप: लेख
भाषा:English
प्रकाशित: Elsevier 2015-10-01
श्रृंखला:Journal of King Saud University: Science
विषय:
Organic compound
Ab initio calculations
Optical properties
Electrical properties
Dielectric properties
ऑनलाइन पहुंच:http://www.sciencedirect.com/science/article/pii/S1018364715000282

इंटरनेट

http://www.sciencedirect.com/science/article/pii/S1018364715000282

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