Strategies and applications in quantum chemistry : from molecular astrophysics to molecular engineering /
| Other Authors: | |
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| Format: | Book |
| Language: | English |
| Published: |
New York :
Kluwer Academic Publishers,
©2002.
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| Series: | Topics in molecular organization and engineering ;
v. 14 |
| Subjects: | |
| Online Access: | http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=67586 |
Table of Contents:
- Applications of Nested Summation Symbols to Quantum Chemistry: Formalism and programming techniquesApplications to Physical Phenomena; Vibrational Modulation Effects on EPR Spectra; Ab ... initio Calculations of Polarizabilities in Molecules: Some Proposals to; Coupled Hartree-Fock Approach to Electric Hyperpolarizability Tensors in Benzene; Second Order Static Hyperpolarizabilities of Insaturated Polymers; An ab initio Study of the Magnetic Properties of the Isoelectronic Series BeH-, BH, CH+ and MgH-, AIH, SiH+; CI Calculations of Miscellaneous Spectroscopic Observables.
- Theoretical Treatment of State-Selective Charge Transfer Processes. An Ab initio Study of the Lowest States of BH.; Magnesium Photoionization: a K-Matrix Calculation with GTO Bases; Investigation of Photochemical Paths by a Combined Theoretical and Experimental Approach; A Puzzling Interstellar Small Molecule; Ab-initio Study of the Intramolecular Hydrogen Shift in Nitromethane and its Acid-dissociated Anion; From Cluster to Infinite Solid: a Quantum Study of the Electronic Properties of MoO3; Ab initio Calculations on Muonium Adducts of Fullerenes; List of Authors; Subject Index.