In-Solution Conformational Analysis of the XCYCH3 Moiety for Small Esters and Ethers with all Combinations of X, Y = O, S
Favorable steric and electrostatic fit of a ligand to a receptor is of central interest in theoretical drug design. This paper considers the effects of non-protic solvents, in comparison with the gas phase, on the preferred conformation of the XCYCH3 moiety of simple aliphatic esters and heterocycli...
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| Format: | Article |
| Language: | English |
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MDPI AG
2013-07-01
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| Series: | Molecules |
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| Online Access: | http://www.mdpi.com/1420-3049/18/7/8063 |