Volume 5; Issue 16

Physical Chemistry Chemical Physics

Volume 5; Issue 16
4

Equilibrium structure and force field of NH2

Demaison, J., Margul�s, L., Boggs, James E.
Journal:
Physical Chemistry Chemical Physics
Year:
2003
Language:
english
File:
PDF, 110 KB
english, 2003
8

Electronic and structural properties of the cage-like molecules C20 to C36

Paulus, Beate
Journal:
Physical Chemistry Chemical Physics
Year:
2003
Language:
english
File:
PDF, 86 KB
english, 2003
9

Oxygenate, oxyalkyl and alkoxycarbonyl thermochemistry and rates for hydrogen abstraction from oxygenatesElectronic supplementary information (ESI) available: Supplementary Table A: The MP2/6-31G(d?) optimized Cartesian coordinates (in ?), the unscaled harmonic vibrational frequencies (in cm?1) and rotational CONSTS (in GHz) at the HF/6-31G(d?) level of the transition structures involved in the abstraction by H atom from the methoxy, primary and secondary alkoxy, carbonyl and hydroperoxy hydrogens. Supplementary Table B: The MP2/6-31G(d?) optimized Cartesian coordinates (in ?), the unscaled harmonic vibrational frequencies (in cm?1) and rotational constants (in GHz) at the HF/6-31G(d?) level of the transition structures involved in the abst

Sumathi, R., Green, Jr., William H.
Journal:
Physical Chemistry Chemical Physics
Year:
2003
Language:
english
File:
PDF, 345 KB
english, 2003
24

The Cu*(2D5/2 and 2D3/2) chemiluminescent reactions with ClF

Sadeghi, N., Kowalczyk, P., Setser, D. W.
Journal:
Physical Chemistry Chemical Physics
Year:
2003
Language:
english
File:
PDF, 233 KB
english, 2003
26

Spectroscopic properties of interstellar molecules: Theory and experiment

Botschwina, Peter
Journal:
Physical Chemistry Chemical Physics
Year:
2003
Language:
english
File:
PDF, 320 KB
english, 2003