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Full-Text Articles in Physical Sciences and Mathematics
Ab Initio Study Of Intermolecular Potential Of H2o Trimer, G. Chalasinski, M. M. Szczesniak, P. Cieplak, Steve Scheiner
Ab Initio Study Of Intermolecular Potential Of H2o Trimer, G. Chalasinski, M. M. Szczesniak, P. Cieplak, Steve Scheiner
Steve Scheiner
Nonadditive contribution to the interaction energy in water trimer is analyzed in terms of Heitler–London exchange, SCF deformation, induction and dispersion nonadditivities. Nonadditivity originates mainly from the SCF deformation effect which is due to electric polarization. However, polarization does not serve as a universal mechanism for nonadditivity in water. In the double‐donor configuration, for example, the Heitler–London exchange contribution is the most important and polarization yields the wrong sign. Correlation effects do not contribute significantly to the nonadditivity. A detailed analysis of the pair potential is also provided. The present two‐body potential and its components are compared to the existing …
Theoretical Vibrational Study Of Fx...Nh3 (X=H, D, Li) Complexes, Y. Bouteiller, Z. Latajka, H. Ratajczak, Steve Scheiner
Theoretical Vibrational Study Of Fx...Nh3 (X=H, D, Li) Complexes, Y. Bouteiller, Z. Latajka, H. Ratajczak, Steve Scheiner
Steve Scheiner
This paper presents the first ab initio attempt to construct the stretching fundamentals νFX and νF...N (X=H, D, Li) in the FX...NH3 complexes taking into account the mechanical anharmonicity. A potential‐energy surface V(rFX,RF...N) grid was generated at the self‐consistent‐field and second‐order Møller–Plesset levels. The coefficients fitting the potential‐energy surface up to the fourth order have been used to compute the νFX and νF...N stretching modes. The vibrational problem is solved by means of a variational treatment which includes the effects of mechanical …
Radar Studies Of Anomalousvelocity Reversals In The Equatorial Ionosphere, Bela G. Fejer, D. T. Farley, B. B. Balsley, R. F. Woodman
Radar Studies Of Anomalousvelocity Reversals In The Equatorial Ionosphere, Bela G. Fejer, D. T. Farley, B. B. Balsley, R. F. Woodman
Bela G. Fejer
Radar observations made at Jicamarca show that the equatorial electrojet current and the E and F region electric fields can reverse from their normal direction during the day or night and during magnetically quiet or disturbed conditions. The nighttime reversals can only be detected by such radar measurements. The observations support most of the current hypotheses concerning the electrojet plasma instabilities. The rapid reversals sometimes seen during disturbed conditions indicate that high-latitude currents and electric fields associated with substorm activity strongly perturb the dynamo current system at all latitudes.