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Showing 1 to 1 of 1 for “"Water Hexamer"”.
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Theoretical Characterization of Non-Covalent Weakly Bound Clusters Through the Application of Sophisticated Computational Quantum Chemistry Methodologies and the Development of Integrated Fragmentation Techniques
Non-covalent, weakly bound clusters have been and remain of significant interest to many researchers. However, with computational studies, accurate description of these interactions requires sophisticated electronic structure methods employing large basis sets. This methodology becomes extremely …