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Items for "First Principles Quantum Theory"

Thermal Rate Constants for Polyatomic Reactions: First Principles Quantum Theory

The truly accurate knowledge of molecular dynamics phenomena is generally achieved through a combination of detailed experiments and first principle theory...

Keywords: Thermal Rate Constants, Polyatomic Reactions, First Principles Quantum Theory

02/2007 | Zeitschrift für Physikalische Chemie, Oldenbourg Wissenschaftsverlag