Water cluster approach to study hydrogen
β
Eugene S. Kryachko
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Article
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1998
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John Wiley and Sons
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English
β 695 KB
Fifteen different structures of the water hexamer found ab initio within ## Ε½ . the 6-311G d, p basis set in the interval of 1.75 kcalrmol above the global minimum represent an unprecedented wide range of conformational plasticity of liquid water. The present work also provides the first ab initi