Published March 9, 2009 | Version v1
Journal article Metadata-only

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

Creators

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

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.

Additional details

Identifiers

DOI
10.1063/1.3108371;

Publishing Information

Journal Title
AIP Conference Proceedings
Journal Volume
1102
Journal Issue
1
Journal Page Range
p. 175-177
ISSN
0094-243X
CODEN
APCPCS

Conference

Title
International conference on theory and application of computational chemistry - 2008
Acronym
TACC 2008
Dates
23-27 Sep 2008
Place
Shanghai (China)

INIS

Country of Publication
United States
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
41039358
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS; S72: PHYSICS OF ELEMENTARY PARTICLES AND FIELDS;
Resource subtype / Literary indicator
Conference
Descriptors DEI
CAPTURE; COMPUTERIZED SIMULATION; HISTAMINE; HYPERFINE STRUCTURE; LASER RADIATION; MOLECULAR CLUSTERS; MOLECULES; MONTE CARLO METHOD; NEUTRON REACTIONS; PHOTON-MOLECULE COLLISIONS; WATER; ZWITTERIONIC COMPOUNDS
Descriptors DEC
AMINES; AZOLES; BARYON REACTIONS; CALCULATION METHODS; COLLISIONS; ELECTROMAGNETIC RADIATION; HADRON REACTIONS; HETEROCYCLIC COMPOUNDS; HYDROGEN COMPOUNDS; IMIDAZOLES; MOLECULE COLLISIONS; NUCLEAR REACTIONS; NUCLEON REACTIONS; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; OXYGEN COMPOUNDS; PHOTON COLLISIONS; POLAR COMPOUNDS; RADIATIONS; SIMULATION

Optional Information

Notes
(c) 2009 American Institute of Physics