Debesh Ranjan Roy (6 results)

Condition: New.

Taschenbuch. Condition: Neu. Studies on Bonding, Reactivity, Aromaticity and Toxicity | A Conceptual Density Functional Theory (DFT) Approach | Debesh Ranjan Roy | Taschenbuch | 220 S. | Englisch | 2012 | LAP LAMBERT Academic Publishing | EAN 9783846587782 | Verantwortliche Person für die EU: BoD - Books on Demand, In de Tarpen 42, 22848 Norderstedt, info[at]bod[dot]de | Anbieter: preigu. …

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Taschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -The book presents a detail study on searching of potential metal cluster motifs, e.g., aluminum, beryllium clusters and their various complex compounds, useful for designing novel nanostructures. The efficacy of such cluster units to be used as possible lead components of molecular electronic devices is also investigated in detail employing a newly proposed reactivity descriptor, viz., nucleo(electro)philic excess. The behavior of DFT based local and global reactivity descriptors around the transition state of various thermochemical reactions are studied in detail. The potential of quantum chemical reactivity descriptors in explaining biological activity of various sex hormones, e.g., testosterone, estrogen etc. and toxicity of a series of aliphatic and aromatic compounds including Polyaromatic hydrocarbons (PAHs) are explored in detail. 220 pp. Englisch.…

Taschenbuch. Condition: Neu. This item is printed on demand - Print on Demand Titel. Neuware -The book presents a detail study on searching of potential metal cluster motifs, e.g., aluminum, beryllium clusters and their various complex compounds, useful for designing novel nanostructures. The efficacy of such cluster units to be used as possible lead components of molecular electronic devices is also investigated in detail employing a newly proposed reactivity descriptor, viz., nucleo(electro)philic excess. The behavior of DFT based local and global reactivity descriptors around the transition state of various thermochemical reactions are studied in detail. The potential of quantum chemical reactivity descriptors in explaining biological activity of various sex hormones, e.g., testosterone, estrogen etc. and toxicity of a series of aliphatic and aromatic compounds including Polyaromatic hydrocarbons (PAHs) are explored in detail.VDM Verlag, Dudweiler Landstraße 99, 66123 Saarbrücken 220 pp. Englisch.…

Taschenbuch. Condition: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - The book presents a detail study on searching of potential metal cluster motifs, e.g., aluminum, beryllium clusters and their various complex compounds, useful for designing novel nanostructures. The efficacy of such cluster units to be used as possible lead components of molecular electronic devices is also investigated in detail employing a newly proposed reactivity descriptor, viz., nucleo(electro)philic excess. The behavior of DFT based local and global reactivity descriptors around the transition state of various thermochemical reactions are studied in detail. The potential of quantum chemical reactivity descriptors in explaining biological activity of various sex hormones, e.g., testosterone, estrogen etc. and toxicity of a series of aliphatic and aromatic compounds including Polyaromatic hydrocarbons (PAHs) are explored in detail.…