- About this Journal ·
- Abstracting and Indexing ·
- Aims and Scope ·
- Article Processing Charges ·
- Author Guidelines ·
- Bibliographic Information ·
- Citations to this Journal ·
- Contact Information ·
- Editorial Board ·
- Editorial Workflow ·
- Free eTOC Alerts ·
- Publication Ethics ·
- Recently Accepted Articles ·
- Reviewers Acknowledgment ·
- Submit a Manuscript ·
- Subscription Information ·
- Table of Contents
Advances in Physical Chemistry
Volume 2011 (2011), Article ID 864714, 14 pages
Diffraction Measurements and Equilibrium Parameters
Faculty of Chemistry, Lomonosov Moscow State University, Moscow 119991, Russia
Received 6 June 2011; Accepted 20 September 2011
Academic Editor: Jan Skov Pedersen
Copyright © 2011 Victor A. Sipachev. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
- O. Bastiansen and M. Traettebrg, “The influence of thermal motion on structure determination of linear molecules using the electron diffraction method,” Acta Crystallographica, vol. 13, p. 1108, 1960.
- Y. Morino, “The effect of thermal vibrations of gaseous molecules in electron diffraction studies,” Acta Crystallographica, vol. 13, p. 1107, 1960.
- A. Almenningen, S. P. Arnesen, O. Bastiansen, H. M. Seip, and R. Seip, “The effect of temperature variatin on the amplitudes of vibration and shrinkage effects in carbon suboxide studied by gas electron diffraction,” Chemical Physics Letters, vol. 1, no. 12, pp. 597–598, 1968.
- M. Tanimoto, K. Kuchitsu, and Y. Morino, “Molecular structure and the effect of large-amplitude vibration of carbon suboxide as studied by gas electron diffraction,” Bulletin of the Chemical Society of Japan, vol. 43, no. 9, pp. 2776–2785, 1970.
- A. Clark and H. M. Seip, “The potential function for the CCC bending in carbon suboxide,” Chemical Physics Letters, vol. 6, no. 5, pp. 452–456, 1970.
- S. J. Cyvin, Molecular Vibrations and Mean Square Amplitudes, Elsevier, Amsterdam, The Netherlands, 1968.
- L. D. Landau and E. M. Lifshits, Mekhanika (Mechanics), Fizmatgiz, Moscow, Russia, 1958.
- L. S. Bartell, “Calculation of mean atomic positions in vibrating polyatomic molecules,” Journal of Chemical Physics, vol. 38, p. 1827, 1963.
- The program is available from the author.
- M. Iwasaki and K. Hedberg, “Centrifugal distortion of bond distances and bond angles,” The Journal of Chemical Physics, vol. 36, no. 11, pp. 2961–2963, 1962.
- Ph. E. Gill, W. Murray, and M. H. Wright, Practical Optimization, Academic, New York, NY, USA, 1981.
- A. A. Granovskii, http://classic.chem.msu.su/gran/gamess/index.html.
- I. S. Sokolnikoff, Tensor Analysis, John Wiley & Sons, New York, NY, USA, 1951.
- P. Pulay, G. Fogarasi, F. Pang, and J. E. Boggs, “Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives,” Journal of the American Chemical Society, vol. 101, no. 10, pp. 2550–2560, 1979.
- I. V. Kochikov, Y. I. Tarasov, V. P. Spiridonov, et al., “The equilibrium structure of thiophene by the combined use of electron diffraction, vibrational spectroscopy, and microwave spectroscopy guided by theoretical calculations,” Journal of Molecular Structure, vol. 567-568, p. 29, 2001.
- S. Kondo, Y. Koga, and T. Nakanaga, “Ab initio MO calculation of the anharmonic force field of methyl fluoride and methyl chloride,” The Journal of Chemical Physics, vol. 81, no. 4, pp. 1951–1959, 1984.
- S. Kondo, “Empirical improvement of the anharmonic ab initio force field of methyl fluoride,” The Journal of Chemical Physics, vol. 81, no. 12, pp. 5945–5951, 1984.
- G. Klatt, A. Willetts, N. C. Handy, R. Tarroni, and P. Palmieri, “An improved anharmonic potential for CHF3,” Journal of Molecular Spectroscopy, vol. 176, no. 1, pp. 64–74, 1996.
- V. A. Sipachev, “The use of quantum-mechanical third-order force constants in structural studies,” Journal of Molecular Structure, vol. 693, no. 1–3, pp. 235–240, 2004.
- Y. I. Tarasov, I. V. Kochikov, N. Vogt et al., “Electron diffraction and quantum chemical study of the structure and internal rotation in nitroethane,” Journal of Molecular Structure, vol. 872, no. 2-3, pp. 150–165, 2008.
- V. I. Arnol’d, V. V. Kozlov, and A. I. Neishtadt, “Mathematical aspects of classical and celestial mechanics,” in Advances in Science and Technology. Modern Problems of Mathematics. Basic Research, V. I. Arnol’d, Ed., Dynamic Systems-3, VINITI, Moscow, Russia, 1985.
- V. A. Sipachev, “Calculation of shrinkage corrections in harmonic approximation,” Journal of Molecular Structure, vol. 22, no. 1–5, pp. 143–151, 1985.
- V. A. Sipachev, “Vibrational effects in diffraction and microwave experiments: a start on the problem,” in Advances in Molecular Structure Research, I. Hargittai and M. Hargittai, Eds., vol. 5, JAI, Greenwich, UK, 1999.
- V. A. Sipachev, “Anharmonic corrections to structural experiment data,” Structural Chemistry, vol. 11, no. 2-3, pp. 167–172, 2000.
- V. A. Sipachev, “Local centrifugal distortions caused by internal motions of molecules,” Journal of Molecular Structure, vol. 567-568, pp. 67–72, 2001.
- V. A. Sipachev, Strength from Weakness: Structural Consequences of Weak Interactions in Molecules, Supermolecules, and Crystals, Kluwer, Dordrecht, The Netherlands, 2002, Edited by A. Domenicano and I. Hargittai.
- A. Tulinsky and C. R. Worthington, “Basic beryllium acetate. I. The collection of intensity data,” Acta Crystallographica, vol. 12, pp. 623–626, 1959.