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# $RCSfile: VDWAtomRadiiAndVolumes.csv,v $
# $Date: 2015/02/28 20:48:33 $
# $Revision: 1.11 $
#
# Author: Manish Sud <[e-mail]>
#
# Copyright (C) 2015 Manish Sud. All rights reserved.
#
# This file is part of MayaChemTools.
#
# MayaChemTools is free software; you can redistribute it and/or modify it under
# the terms of the GNU Lesser General Public License as published by the Free
# Software Foundation; either version 3 of the License, or (at your option) any
# later version.
#
# MayaChemTools is distributed in the hope that it will be useful, but without
# any warranty; without even the implied warranty of merchantability of fitness
# for a particular purpose.  See the GNU Lesser General Public License for more
# details.
#
# You should have received a copy of the GNU Lesser General Public License
# along with MayaChemTools; if not, see <http://www.gnu.org/licenses/> or
# write to the Free Software Foundation Inc., 59 Temple Place, Suite 330,
# Boston, MA, 02111-1307, USA.
#
#
# Original data sources:
#     o Table 2 in Yuan et al. [ Ref 93 ]
#     o PeriodicTableElementsData.csv supplied with MayaChemTools
#
# Notes:
#     o The current release of MayaChemTools provide data van der Waals atom radii and atom
#        volumes data for 38 elements. Table 2 [ Ref 93 ] contains data for 15 elements.
# 
#     o After converting valid van der Waals atom radius data from pm (picometer) to A (Angstrom)
#        A (Angstrom) available under column name VanderWaalsRadius in PeriodicTableElementsData.csv
#        data file, van der Waals atom volume is calculated using: 4/3 * PI * (Radius ** 3)
#
#     o For elements specified in Table 2 [ Ref 93 ] - H, B, C, N, O, F, Si, P, S, Cl, As, Se, Br, Te, I -
#        van der Waals atom radii and calculated atom volumes match the values in the table.
#
#
"AtomTypeSymbol","VDWAtomRadius(A)","VDWAtomVolume(A**3)/molecule"
"H","1.20","7.24"
"He","1.40","11.49"
"Li","1.82","25.25"
"B","2.13","40.48"
"C","1.70","20.58"
"N","1.55","15.60"
"O","1.52","14.71"
"F","1.47","13.31"
"Ne","1.54","15.30"
"Na","2.27","49.00"
"Mg","1.73","21.69"
"Si","2.10","38.79"
"P","1.80","24.43"
"S","1.80","24.43"
"Cl","1.75","22.45"
"Ar","1.88","27.83"
"K","2.75","87.11"
"Ni","1.63","18.14"
"Cu","1.40","11.49"
"Zn","1.39","11.25"
"Ga","1.87","27.39"
"As","1.85","26.52"
"Se","1.90","28.73"
"Br","1.85","26.52"
"Kr","2.02","34.53"
"Pd","1.63","18.14"
"Ag","1.72","21.31"
"Cd","1.58","16.52"
"In","1.93","30.11"
"Sn","2.17","42.80"
"Te","2.06","36.62"
"I","1.98","32.52"
"Xe","2.16","42.21"
"Pt","1.75","22.45"
"Au","1.66","19.16"
"Hg","1.55","15.60"
"Tl","1.96","31.54"
"Pb","2.02","34.53"