An Ab Initio Study of Aqueous Copper(I) Speciation in the Presence of Chloride
The determination of multiple energy minima on complex potential energy surfaces is challenging. A systematic desymmetrization procedure was employed to find stationary points on the copper(I) + chloride + water potential energy surface using HF, MP2, and B3LYP methods in conjunction with the 6-31G*...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2025-07-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/30/15/3147 |
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