Distinction and Quantification of Noncovalent Dispersive and Hydrophobic Effects
The possibilities of comparing computational results of noncovalent interactions with experimental data are discussed, first with respect to intramolecular interactions. For these a variety of experimental data such as heats of formation, crystal sublimation heats, comparison with energy minimized s...
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| Format: | Article |
| Language: | English |
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MDPI AG
2024-04-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/29/7/1591 |