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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Hauptverfasser: Glushkov, A V, Malinovskaya, S V, Khetselius, O Yu, Loboda, A V
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Malinovskaya, S V
Khetselius, O Yu
Loboda, A V
description 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.
doi_str_mv 10.1063/1.3108371
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identifier ISSN: 0094-243X
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source AIP Journals Complete
subjects 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
title Monte-Carlo Quantum Chemistry of Biogene Amines. Laser and Neutron Capture Effects
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