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Welcome to the ShareMe. Shareme is a dedicated internet portal bringing users the latest shareware & freeware from the world’s best Software Authors. Shareme allows Shareware & Freeware Authors to submit their latest wares, so you the user are able to download their latest software updates all the time, after they are released! Always visit Shareme for your software needs.#!/usr/bin/perl -w
# (c) 1999-2005 University of Bristol, see COPYING for details
# Thomas Ringner
# This program is free software; you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation; either version 2 of the License, or
# (at your option) any later version.
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# GNU General Public License for more details.
# You should have received a copy of the GNU General Public License
# along with this program (see the file COPYING); if not, write to the
# Free Software Foundation, Inc.,
# 59 Temple Place – Suite 330, Boston, MA 02111-1307, USA.
# Such generator is part of a collection of tools for the problem of
# ATP (All-Pair Tanimoto Chemical Similarity) that is part of
# QSAR modeling.

# sent from the mlmat(1) tool in the PSEQDIS collection

$pkg = “0.4”;

require ‘’;

$license = “0.4”;
$license =~ s,.*\b(MIT|GPL|BSD),,g;

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Proton transfer reactions in the complex pK1i+pK1(2i) from 1H/13C-HETSP and 13C-NMR of selectively deuterated diiodomethane: DFT and ab initio methods.
Several methods have been used to perform selective labeling of the alkane portion of the complex formed between pK(1)i(+) and pK(1)(2)i(-) from 1H/13C-HETSP and 13C-NMR of 13C-labeled diiodomethane. The reaction with trifluoracetic acid and the chelation-enhanced hydrogen atom transfer reaction with glycine afford trifluoroacetate and the hydrogenated glycine, respectively. The ESI ionization of trifluoroacetate gives (13)C(2)- and (13)C(4)-labeled ions, respectively, from which the (13)C-NMR spectrum is unambiguously assigned. Both labeled ions appear in the same relative intensities as in the original complex, whereas their relative intensities are changed in the chelation-enhanced hydrogen atom transfer reaction. This procedure has been also used to selectively deuterate the atoms of the acetylenic portion of diiodomethane. The isotopically-labeled complex is now used to assign the (1)H-NMR spectrum in the ratio of 1:1 that was predicted by theory. An attempt to observe the signals of the odd-electron complex by the 1:1 ratio has failed due to the hydrogen scrambling.Meet up with some of the top model and media execs and celebrities that are attending the Autumn 2015 D Magazine launch party hosted by Mr. Jason King:

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