Download PDF by Silvia A. Brandán: A Structural and Vibrational Investigation into

By Silvia A. Brandán

ISBN-10: 9400757530

ISBN-13: 9789400757530

ISBN-10: 9400757549

ISBN-13: 9789400757547

A Structural and Vibrational research into Chromyl Azide, Acetate, Perchlorate and Thiocyanate Compounds experiences the structural and vibrational houses of chromyl azide, acetate, perchlorate, and thiocyanate from a theoretical perspective through the use of Density practical concept (DFT) equipment. those compounds are broadly utilized in natural syntheses and the learn in their constitution and spectroscopy has turn into basic.
This publication evaluates the easiest theoretical point and foundation set to breed the experimental info present for these compounds. To this finish, the optimized geometries and wavenumbers for the conventional modes of vibration are calculated and the received effects are in comparison and analyzed. additionally, the character of the different sorts of bonds and their corresponding topological houses of digital cost density are systematically and quantitatively investigated by utilizing the NBO research and the atoms in molecules conception (AIM).

Show description

Read Online or Download A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate Compounds PDF

Best structural books

Connections in Steel Structures by R. Bjorhovde PDF

This ebook publishes the court cases from the 3rd overseas Workshop on Connections in metal buildings: Behaviour, power and layout held in Trento, Italy, 29-31 may possibly 1995. The workshop introduced jointly the world's most popular specialists in metal connections learn, improvement, fabrication and layout.

New PDF release: An Anthology of Structural Morphology

The structural morphology operating workforce of the overseas organization for Shell and Spatial buildings, based in 1991, has helped to release numerous overseas seminars, newsletters and particular classes of foreign meetings dedicated to structural morphology. This e-book comprises papers which were chosen both for his or her basic contribution to structural morphology or for his or her genuine pertinence within the box.

Additional info for A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate Compounds

Sample text

Gautier-Luneau, A. Mosset, J. Solid State Chem. 73(2), 473–479 (1988) 56. J. ), Molecular Geometry (Van Nostrand-Reinhold, London, 1972) 57. J. Gillespie, I. H. W. Bader, Inorg. Chem. 35, 3954 (1996) 58. M. Fernández Gómez, A. A. Brandán, C. Socolsky, A. L. Varetti, J. Mol. Struct. (THEOCHEM) 626, 101 (2003) 59. S. J. Grabowski, J. Mol. Struct. 621, 285 (2003) 60. J. Grabowski, Monat. für Chem. 133, 1373 (2002) 61. W. Bader, J. Phys. Chem. A 102, 7314 (1998) 62. A. Popelier, J. Phys. Chem. A 102, 1873 (1998) 63.

25. 26. 27. 28. M. Sowinska, A. Bartecki, Transition Met. Chem. 10(2), 63–66 (1985) M. Sowinska, J. Myrczek, A. Bartecki, Spectrosc. lett. 26(7), 1295–1309 (1993) F. J. H. DuBois, J. Org. Chem. 33, 3970 (1968) F. H. J. J. Parish, N. L. S. Kaneshiro, J. Chem. Res. R. Hanson, Nat. Prod. Rep. 18, 282–290 (2001) C. Szántay, Pure Appl. Chem. A. Brandán, A. L. Varetti, J. Argent. Chem. Soc. L. A. Brandán, A. Ben Altabef, Vib. Spectrosc. A. L. Roldán, C. Socolsky, A. Ben Altabef, Spectrochim. J. Marsden, K.

Inorg. Nucl. Chem. L. Krauss, Angew. Chem. L. A. L. Varetti, A. Ben Altabef, Z. Anorg, Allg. Chem. 632, 2495 (2006) S. J. Dines, J. Phys. Chem. E. A. Curtiss, F. Weinhold, Chem. Rev. P. Foster, F. Weinhold, J. Am. Chem. Soc. 102, 7211 (1980) 56 2 Structural and Vibrational Study on Chromyl Acetate in Different Media 29. E. Reed, F. Weinhold, J. Chem. Phys. 83, 1736 (1985) 30. W. Bader, Atoms in Molecules. A Quantum Theory (Oxford University Press, Oxford, 1990). ISBN 0198558651 31. Hiraishi) 32.

Download PDF sample

A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate Compounds by Silvia A. Brandán

by Christopher

Rated 4.23 of 5 – based on 27 votes