Monte-Carlo Quantum Chemistry of Biogene Amines. Laser and Neutron Capture Effects

Monte-Carlo Quantum Chemistry of Biogene Amines. Laser and Neutron Capture Effects

Monte-Carlo quantum calculation of the cluster consisting of the serotonine ST (histamine HM) molecules and 100 molecules of water is carried out. It is found that the zwitterion appears as expected to be strongly favoured with respect to neutral molecule. The perspective possibilities of laser and...

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Bibliographische Detailangaben
Hauptverfasser: Glushkov, A V, Malinovskaya, S V, Khetselius, O Yu, Loboda, A V
Format: Tagungsbericht
Sprache:eng
Schlagworte:
ATOMIC AND MOLECULAR PHYSICS
CAPTURE
COMPUTERIZED SIMULATION
HISTAMINE
HYPERFINE STRUCTURE
LASER RADIATION
MOLECULAR CLUSTERS
MOLECULES
MONTE CARLO METHOD
NEUTRON REACTIONS
PHOTON-MOLECULE COLLISIONS
WATER
ZWITTERIONIC COMPOUNDS
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Beschreibung
Zusammenfassung:Monte-Carlo quantum calculation of the cluster consisting of the serotonine ST (histamine HM) molecules and 100 molecules of water is carried out. It is found that the zwitterion appears as expected to be strongly favoured with respect to neutral molecule. The perspective possibilities of laser and neutron capture action on different biomolecules are indicated.
ISSN:0094-243X
1551-7616
DOI:10.1063/1.3108371