Download Quantum-Chemical Calculation of Unique Molecular Systems, by Vladimir A. Babkin, Gennady Efremovich Zaikov, A. K. Haghi PDF
By Vladimir A. Babkin, Gennady Efremovich Zaikov, A. K. Haghi
The significant ambitions of quantum chemistry contain expanding the accuracy of the consequences for small molecular structures and extending the scale of huge molecules that may be processed, that's restricted by means of scaling considerations—the computation time raises as an influence of the variety of atoms. This e-book deals scope for lecturers, researchers, and engineering pros to offer their learn and improvement works that experience power for purposes in numerous disciplines of computational chemistry. Contributions diversity from new easy methods to novel functions of present easy methods to achieve an realizing of the concepts.
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And Denisov, A. A. Quantum-chemical calculation of olefins and their derivations: [monograph] VolgASU. Volgograd, p. 99 (2012) 15. Babkin, V. A. and Andreev, D. S. Quantum-chemical calculation of molecule 2-ethylbutene-1 by method MNDO. Collected papers: Quantum-chemical calculation of unique molecular systems/VolgSU. Volgograd, 1, 183–185 (2010). Quantum-Chemical Calculation of Molecule Methylencyclooctane 31 16. Babkin, V. , Andreev, D. , and Titova, E. S. Geometrical and electronic structure of molecule vitamin «А» by method MNDO/Quantum-Chemical Calculation of Molecular Systems as the Basis of Nanotechnologes in Applied Quantum Chemistry.
Babkin, V. , Dmitriev, V. , and Zaikov, G. E. Quantum-chemical calculation of molecule monomer of cationic polymerization of heptene-1 by method MNDO. Collected papers: Quantum-chemical calculation of unique molecular systems/VolgSU. Volgograd, 1, 95–97 (2010). 6 Quantum-Chemical Calculation of Unique Molecular Systems 8. Babkin, V. , Dmitriev, V. , and Zaikov, G. E. Quantum-chemical calculation of molecule monomer of cationic polymerization of decene-1 by method MNDO. Collected papers: Quantum-chemical calculation of unique molecular systems/VolgSU.
7. Babkin, V. , Dmitriev, V. , and Zaikov, G. E. Quantum-chemical calculation of molecule monomer of cationic polymerization of heptene-1 by method MNDO. Collected papers: Quantum-chemical calculation of unique molecular systems/VolgSU. Volgograd, 1, 95–97 (2010). 8. Babkin, V. , Dmitriev, V. , and Zaikov, G. E. Quantum-chemical calculation of molecule monomer of cationic polymerization of decene-1 by method MNDO. Collected papers: Quantum-chemical calculation of unique molecular systems/VolgSU.