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Pablo A. Denis Theoretical characterization of hydrogen pentoxide, H2O5 International Journal of Quantum Chemistry 113

Article first published online: 20 MAR 2013 | DOI: 10.1002/qua.24432

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Hydrogen polyoxides present challenges for theoretical chemists because of their highly correlated nature. A combination of high-level quantum chemical approaches is employed to study the structure, enthalpy of formation, and infrared spectrum of hydrogen pentoxide. The results are intended to motivate and help experimentalists with the detection and characterization of H2O5.

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