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

Journal Article · Mon Mar 09 00:00:00 EDT 2009 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.3108371· OSTI ID:21293363

Glushkov, A V ^[1]; Malinovskaya, S V; Khetselius, O Yu; Loboda, A V ^[2]

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1. Russian Academy of Sciences, Troitsk, Moscow reg., 142090 (Russian Federation)
2. Odessa University, P.O. Box 24a, Odessa-9, South-East, 65009 (Ukraine)

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.

• OSTI ID: 21293363
• Journal Information: AIP Conference Proceedings, Vol. 1102, Issue 1; Conference: TACC 2008: International conference on theory and application of computational chemistry - 2008, Shanghai (China), 23-27 Sep 2008; Other Information: DOI: 10.1063/1.3108371; (c) 2009 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

74 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