𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Structural Changes in Phase Transitions of Nylon Model Compounds. 1. Transition Behavior of Model Compounds of R-NHCO-R‘ Type

✍ Scribed by Yoshioka, Yayoi; Tashiro, Kohji

Book ID
126989898
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
320 KB
Volume
107
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Computational design of benzothiazole-de
Computational design of benzothiazole-derived push?pull dyes with high molecular quadratic hyperpolarizabilitiesElectronic supplementary information (ESI) available: Table S1: Heats of formation and relevant torsional angles (AM1) and ZINDO (gas phase and dioxane solution) dipole moments and ?vec-values for different conformations of compounds 1?51. Table S2: B3LYP/6-31G* energies, zero point energy corrections (au), torsional angles, DRRPA-HF/6-31G* and ZINDO (gas phase) hyperpolarizabilities for different conformations. Table S3: Contributions (two-state model, other configurations) to ZINDO gas phase hyperpolarizabilities (B3LYP/6-31G* lowest energy conformation). Table S4: Orbital energies and coefficients (2pz, 3pz) of the two highest occupied and two lowest virtual orbitals of pertinent model compounds. Table S5: Main configurations (gas phase, ZINDO, B3LYP/6-31G* geometry), wavenumbers ?, oscillator strengths f, and difference ?� of dipole moment for the first two electronic transitions (states). Table S6: Main configurations (gas phase, TDDFT/B3LYP/6-31G*//B3LYP/6-31G*), wavenumbers ? and oscillator strengths f for the first few electronic transitions (states) of compounds 1?4, 16, 42 and 48?50. Table S7: ZINDO SOS results (wavelength ?max of first absorption band (f > 0.1), dipole moment �, and ?vec-values for compounds 1?51 in the gas phase. See http://www.rsc.org/suppdata/cp/b3/b314150k/
✍ Hrobarik, Peter; Zahradnik, Pavol; Fabian, Walter M. F. 📂 Article 📅 2004 🏛 Royal Society of Chemistry 🌐 English ⚖ 410 KB
Computational Hydraulics : An Introducti
Computational Hydraulics : An Introduction. By C. B. VREUGDENHIL. Springer, 1989. 182 pp. DM 58. Annual Review of Fluid Mechanics, vol. 22. Edited by J. L. LUMLEY and M. VAN DYKE. Annual Reviews Inc, 1990. Introduction to Nonlinear Fluid-Plasma Waves. By B. K. SHIVAMOGGI. Kluwer, 1988. 202 pp. £44 or $79. Applied Differential Geometry. By W. L. BURKE. Cambridge University Press, 1985. 414 pp. £35 (hardback), £l5 (paperback). Advances in Fluid Dynamics. Edited by W. F. BALLHAUS and M. Y. HUSSAINI. Springer, 1989. 330 pp. DM 94. Cellular Automata and Modeling of Complex Physical Systems. Edited by P. MANNEYILLE, N. BOCCARA, G. Y. VICHNIAC and R. BIDAUX. Springer, 1989. 350 pp. DM 96. PDEs and Continuum Models of Phase Transitions. Edited by M. RASCLE, D. SERRE and M. SLEMROD. Springer, 1989. 229 pp. DM 55. Turbulence Measurements and Flow Modeling. Edited by C. J. CHEN, L.-D. CHEN and F. M. HOLLY. Hemisphere, 1987. 869 pp. Recent Developments in Structured Continua. Edited by D. DE KEE and P. N. KALONI. Longman, 1990. 340 pp. £25. Advances in Underwater Inspection and Maintenance. Graham & Trotman, 1989. 175pp. £45. Second Generation Subsea Production Systems. Graham & Trotman, 1989. 245 pp. £68.50. Diverless and Deepwater Technology. Edited by E. R. JEFFREYS and A. J. FYFE. Graham & Trotman, 1989. 151 pp. £55. Design, Modeling and Control of Pumps. Edited by C. R. BURROUGHS and N. D. VAUGHAN. Research Studies Press, 1989. 174 pp. £39.50. Drag Reduction in Fluid Flows. Edited by R. H. J. SELLIN and R. T. MOSES. Ellis Horwood, 1989. 377 pp. £39.95. Movable Bed Physical Models. Edited by H. W. SHEN. Kluwer, 1990. 171 pp. Electrorheological Fluids. Edited by J. D. CARLSON, A. F. SPRECHER and H. CONRAD. Technomic, 1990. 454 pp.
📂 Article 📅 1990 🏛 Cambridge University Press 🌐 English ⚖ 79 KB