Basic Theory and Computing Laganà, Antonio Primary Author Parker, Gregory A Primary Author A. Parker, Gregory, Primary Author mixed material bibliography Cham, Switlzerland Elsevier 2018 en English

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xvi, 208 p : illust: 24 cm The text begins with the problem of determining the chemical reaction properties by first decomposing complex processes into their elementary components. Next, the problem of two colliding mass points is investigated and relationships between initial conditions and collision outcomes are discussed. The failure of classical approaches to match experimental information is discussed and a quantum formulation of the calculation of the properties of two colliding bodies is provided. The authors go onto describe how the formalism is extended to structured collision partners by discussing the methods used to compute the electronic structure of polyelectronic reactants and products and the formalism of atom diatom reactions. Additionally, the relationships between the features of the potential energy surface and the outcomes of the reactive dynamics, are discussed. Chemistry Physical Organic Chemistry Chemistry, Physical and Theoretical Chemical Reactions Chemistry, Inorganic 541.39 9783319623559 e-Library Universitas Pertamina Be Global Leader 541.39 LAG c 9075/PUP/2019 Perpustakaan Universitas Pertamina 541.39 LAG c c.1 61Hr7eIcsxL_No2_ChemReact_100522.jpg.jpg 4927 2022-05-10 12:04:13 2022-05-24 17:18:31 machine generated