General definition of ring puckering coordinates
A unique mean plane is defined for a general monocyclic puckered ring. The geometry of the puckering relative to this plane is described by amplitude and phase coordinates which are generalizations…
A Description of the Chemical Bond in Terms of Local Properties of Electron Density and Energy
Chemical bonding is described in terms of the properties of the one-electron density f2 (r) and the local energy density H (r) = G (r) + V (r). Analysis of a variety of different bonds suggests that…
Atmospheric formation of OH radicals and H2O2 from alkene ozonolysis under humid conditions.
- J. Anglada, P. Aplincourt, J. M. Bofill, D. Cremer
- Chemistry, Environmental ScienceChemPhysChem
- 15 February 2002
Alkene ozonolysis plays an important role to explain the formation of both OH radicals and H2O2 from anthropogenic and biogenic alkenes in urban and rural areas as well as in indoor air.
A New Way of Analyzing Vibrational Spectra. III. Characterization of Normal Vibrational Modes in Terms of Internal Vibrational Modes
- Z. Konkoli, D. Cremer
- Chemistry
- 1998
The concept of characterizing normal vibrational modes l in terms of m internal vibrational modes v typical of molecular fragments or structural subunits is n developed. Essential for this concept is…
A new way of analyzing vibrational spectra : IV. Application and testing of adiabatic modes within the concept of the characterization of normal modes
- Z. Konkoli, J. Larsson, D. Cremer
- Chemistry, Physics
- 1998
The CNM characterization of normal modes method for extracting chemical information out of vibrational spectra is tested for vibrational spectra of molecules with relatively strong or relatively weak…
A new way of analyzing vibrational spectra. I. Derivation of adiabatic internal modes
- Z. Konkoli, D. Cremer
- Chemistry, Physics
- 1998
A new way of analyzing measured or calculated vibrational spectra in terms of internal vibrational modes associated with the internal parameters used to describe geometry and conformation of a…
Energetics, Kinetics, and Product Distributions of the Reactions of Ozone with Ethene and 2,3-Dimethyl-2-butene
- M. Olzmann, E. Kraka, D. Cremer, Roland Gutbrod, S. Andersson
- Chemistry
- 4 December 1997
A detailed kinetic analysis of the complex reaction systems arising from the ozonolysis of C 2H4 and (CH3)2CdC(CH3)2 (TME), respectively, is carried out, using master equations and statistical rate…
Description of conjugation and hyperconjugation in terms of electron distributions
Definition d'un indice de liaison et d'une ellipticite de liaison pour les liaisons C-C a partir de la distribution de charge p et de ses courbures principales du point critique de liaison,…
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