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The calculation data for article Structure-Aromaticity-Reactivity Relationship of One- and Two-Dimensional Polyaromatic Hydrocarbons and Polyborazines

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Name		Name	Last commit message	Last commit date
Latest commit History 2 Commits
ELF		ELF
ELF_sigma		ELF_sigma
c1		c1
c2		c2
fchk		fchk
pvtz_anthraceneBN		pvtz_anthraceneBN
pvtz_anthraene		pvtz_anthraene
pvtz_benz		pvtz_benz
pvtz_benzBN		pvtz_benzBN
pvtz_coronene		pvtz_coronene
pvtz_coroneneBN		pvtz_coroneneBN
pvtz_naphthalene		pvtz_naphthalene
pvtz_naphthaleneBN		pvtz_naphthaleneBN
pvtz_ph4linear		pvtz_ph4linear
pvtz_ph4linearBN		pvtz_ph4linearBN
pvtz_phenanthrene		pvtz_phenanthrene
pvtz_phenanthreneBN		pvtz_phenanthreneBN
pvtz_pyrene		pvtz_pyrene
pvtz_pyreneBN		pvtz_pyreneBN
README		README
compare.sh		compare.sh
compare4.sh		compare4.sh
compare4_sigma.sh		compare4_sigma.sh
compare5.sh		compare5.sh
compare5_sigma.sh		compare5_sigma.sh
do.sh		do.sh
do_fchk.sh		do_fchk.sh
do_gen_charge1.sh		do_gen_charge1.sh
do_gen_charge2.sh		do_gen_charge2.sh
do_gen_homa_input.sh		do_gen_homa_input.sh
do_sub.sh		do_sub.sh
input		input
input3		input3
input4		input4
input_charge_hirshfeld		input_charge_hirshfeld
input_multicenter_all		input_multicenter_all
input_multicenter_pi		input_multicenter_pi
input_multicenter_sigma		input_multicenter_sigma
input_vmd		input_vmd
input_vmd_sigma		input_vmd_sigma
multicenter_all.sh		multicenter_all.sh
multicenter_pi.sh		multicenter_pi.sh
multicenter_sigma.sh		multicenter_sigma.sh
re		re
results		results
settings.ini		settings.ini
text		text

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The calculation data for article Structure-Aromaticity-Reactivity Relationship of One- and Two-Dimensional Polyaromatic Hydrocarbons and Polyborazines

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The calculation data for article Structure-Aromaticity-Reactivity Relationship of One- and Two-Dimensional Polyaromatic Hydrocarbons and Polyborazines

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