Physikalische und theoretische Chemie



1992

116.

Jensen, Per; Bunker, Philip R.; Epa, V. C.; Karpfen, Alfred
An ab initio calculation of the fundamental and overtone HCl stretching vibrations for the HCl dimer
Journal of Molecular Spectroscopy, 151 (2) :384-395
1992

115.

Jensen, Per; Rohlfing, Celeste Michael; Alml{ö}f, Jan
Calculation of the complete-active-space self-consistent-field potential-energy surface, the dipole moment surfaces, the rotation-vibration energies, and the vibrational transition moments for C\(_{3}\)(X\verb=~= \(^{1}\)\(\Sigma\)\(_{g}\)\(^{+}\))
The Journal of Chemical Physics, 97 (5) :3399-3411
1992

114.

Wildt, J{ü}rgen; Fink, Ewald H.; Biggs, P.; Wayne, Richard P.; Vilesov, A. F.
Collision-induced emission of O\(_{2}\)(a \(^{1}\)\(\Delta\)\(_{g}\) → X \(^{3}\)\(\Sigma\)\(_{g}\)\(^{-}\)) in the gas phase
Chemical Physics, 159 (1) :127-140
1992

113.

Becker, Karl Heinz; Kurtenbach, Ralf; Wiesen, Peter
Investigation of N\(_{2}\)O formation in the NCO+NO reaction by Fourier-transform infrared spectroscopy
Chemical Physics Letters, 198 (3-4) :424-428
1992

112.

Becker, Karl Heinz; K{ö}nig, R.; Meuser, R.; Wiesen, Peter; Bayes, Kyle D.
Kinetics of C\(_{2}\)O radicals formed in the photolysis of carbon suboxide at 308 and 248 nm
Journal of Photochemistry and Photobiology, A: Chemistry, 64 (1) :1-14
1992

111.

Shestakov, Oleg; Pravilov, A. M.; Demes, H.; Fink, Ewald H.
Radiative lifetime and quenching of the A \(^{2}\)\(\Sigma\)\(^{+}\) and X\(_{2}\) \(^{2}\)\(\Pi\)\(_{3/2}\) states of PbF
Chemical Physics, 165 (2-3) :415-427
1992

110.

Bunker, Philip R.; Hamilton, I. P.; Jensen, Per
Rotation-vibration energies for the HO\(_{2}\) molecule
Journal of Molecular Spectroscopy, 155 (1) :44-54
1992

109.

Becker, Karl Heinz; Engelhardt, B.; Geiger, Harald; Kurtenbach, Ralf; Schrey, G.; Wiesen, Peter
Temperature dependence of the CH+N\(_{2}\) reaction at low total pressure
Chemical Physics Letters, 195 (4) :322-328
1992

108.

Benter, Thorsten; Becker, Eilhard; Wille, Uta; Rahman, M. M.; Schindler, Ralph N.
The Determination of Rate Constants for the Reactions of Some Alkenes with the NO\(_{3}\) Radical
Berichte der Bunsengesellschaft für physikalische Chemie, 96 (6) :769-775
1992

107.

Ziebarth, K.; Breidohr, R.; Shestakov, Oleg; Fink, Ewald H.
The X\(_{2}\) \(^{2}\)\(\Pi\)\(_{3/2}\) → X\(_{1}\) \(^{2}\)\(\Pi\)\(_{1/2}\) electronic band systems of lead monohalides in the near infrared
Chemical Physics Letters, 190 (3-4) :271-278
1992

106.

Barone, Vincenzo; Jensen, Per; Minichino, Camilla
Vibro-rotational analysis of Si\(_{2}\)C from an ab initio potential energy surface. A comparison between perturbative and variational methods
Journal of Molecular Spectroscopy, 154 (2) :252-264
1992
1991

105.

Fink, Ewald H.; Setzer, Klaus-Dieter; Ramsay, D. A.; Vervloet, M.
A new band spectrum of BiO in the near-infrared region
Chemical Physics Letters, 179 (1-2) :103-108
1991

104.

Becker, Eilhard; Benter, Thorsten; Kampf, R.; Schindler, Ralph N.; Wille, Uta
A Redetermination of the Rate Constant of the Reaction F + HNO\(_{3}\) → HF + NO\(_{3}\)
Berichte der Bunsengesellschaft für physikalische Chemie, 95 (10) :1168-1173
1991

103.

Jensen, Per; Bunker, Philip R.; Karpfen, Alfred
An ab initio calculation of the nonadiabatic effect on the tunneling splitting in vibrationally excited (HF)\(_{2}\)
Journal of Molecular Spectroscopy, 148 (2) :385-390
1991

102.

Jensen, Per; Marshall, Mark D.; Bunker, Philip R.; Karpfen, Alfred
An ab initio close-coupling calculation of the lower vibrational energies of the HCl dimer
Chemical Physics Letters, 180 (6) :594-600
1991

101.

Marshall, Mark D.; Jensen, Per; Bunker, Philip R.
An ab initio close-coupling calculation of the lower vibrational energies of the HF dimer
Chemical Physics Letters, 176 (3-4) :255-260
1991

100.

Karpfen, Alfred; Bunker, Philip R.; Jensen, Per
An ab initio study of the hydrogen chloride dimer: the potential energy surface and the characterization of the stationary points
Chemical Physics, 149 (3) :299-309
1991

99.

Bunker, Philip R.; Epa, V. C.; Jensen, Per; Karpfen, Alfred
An analytical ab initio potential surface and the calculated tunneling energies for the HCl dimer
Journal of Molecular Spectroscopy, 146 (1) :200-219
1991

98.

Fink, Ewald H.; Setzer, Klaus-Dieter; Wildt, J{ü}rgen; Ramsay, D. A.; Vervloet, M.
Collision-induced emission of O\(_{2}\)(b\(^{1}\)\(\Sigma\)\(_{g}\)\(^{+}\) → a\(^{1}\)\(\Delta\)\(_{g}\)) in the gas phase
International Journal of Quantum Chemistry, 39 (3) :287-298
1991

97.

Vilesov, A. F.; Wildt, J{ü}rgen; Fink, Ewald H.
Emission of Xe: N(\(^{2}\)P) collision complexes near the N(\(^{2}\)P→\(^{2}\)D) lines
Chemical Physics, 153 (3) :531-537
1991

96.

Jensen, Per; Oddershede, Jens; Sabin, John R.
Geometric dependence of the mean excitation energy and spectral moments of water
Physical Review A, 43 (7) :4040-4043
1991

95.

Becker, Karl Heinz; Geiger, Harald; Wiesen, Peter
Kinetic study of the OH radical chain in the reaction system OH + C\(_{2}\)H\(_{4}\) + NO + air
Chemical Physics Letters, 184 (4) :256-261
1991

94.

Wildt, J{ü}rgen; Bednarek, G.; Fink, Ewald H.; Wayne, Richard P.
Laser excitation of the A\(^{3}\)\(\Sigma\)\(_{u}\)\(^{+}\), A'\(^{3}\)\(\Delta\)\(_{u}\) and c\(^{1}\)\(\Sigma\)\(_{u}\)\(^{-}\) states of molecular oxygen
Chemical Physics, 156 (3) :497-508
1991

93.

Benter, Thorsten; Becker, Eilhard; Wille, Uta; Schindler, Ralph N.; Canosa-Mas, Carlos E.; Smith, Stuart J.; Waygood, Steven J.; Wayne, Richard P.
Nitrate radical reactions: interactions with alkynes
Journal of the Chemical Society, Faraday Transactions, 87 (14) :2141
1991

92.

Becker, Karl Heinz; Kurtenbach, Ralf; Wiesen, Peter
Temperature and pressure dependence of the reaction methylidyne radical + hydrogen
The Journal of Physical Chemistry, 95 (6) :2390-2394
1991