cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/v3tpz4r7bx.2
title: Human Urine-derived Stem Cells Ameliorate Bleomycin-induced Skin Fibrosis in a Mouse Scleroderma Model

description: Raw data for the manuscript entitled "Human Urine-derived Stem Cells Ameliorate Bleomycin-induced Skin Fibrosis in a Mouse Scleroderma Model"
DOI: 10.7910/dvn/lm07ow/iktfam
title: supplementary file_final_for_publication.pdf
DOI: 10.7910/dvn/lm07ow/veklpg
title: replication code_tables.do
DOI: 10.7910/dvn/lm07ow/zb0aeo
title: replication code_figures.do
DOI: 10.7910/dvn/sj00mz/gptdu8
title: C4H6.31

description: Butadiene DFT B3LYP 6-31G(d,p) geometry and NBO output file.
DOI: 10.7910/dvn/sj00mz/gwxce0
title: butadiene.txt

description: Butadiene DFT B3LYP 6-31G(d,p) geometry.
DOI: 10.7910/dvn/sj00mz/iftrka
title: butadiene2.txt

description: Butadiene Semi-empirical PM7 geometry.
DOI: 10.7910/dvn/sj00mz/kqopun
title: boron_trifluoride.txt

description: Boron trifluoride DFT B3LYP 6-31G(d,p) geometry.
DOI: 10.7910/dvn/sj00mz/lrddar
title: butadiene_NBO.txt

description: Butadiene DFT B3LYP 6-31G(d,p) geometry, including NBO.
DOI: 10.7910/dvn/sj00mz/anlyj1
title: C4H6.46

description: Butadiene DFT B3LYP 6-31G(d,p) geometry and NBO output file.
DOI: 10.7910/dvn/sj00mz/bm1npd
title: C60_ELF.jpg

description: Buckminsterfullerene (C60) Savin ELF using DFT B3LYP 6-31G(d) data (see C60_DFT) via Gabedit 2.4.8. Isosurface value = 0.8.
DOI: 10.7910/dvn/sj00mz/cdvw3a
title: C60_DFT.txt

description: Buckminsterfullerene (C60) DFT B3LYP 6-31G(d) single-point energy (geometry undefined).
DOI: 10.7910/dvn/sj00mz/fhbhx4
title: C4H6.40

description: Butadiene DFT B3LYP 6-31G(d,p) geometry and NBO output file (molecular orbitals).
DOI: 10.7910/dvn/sj00mz/j9ynvi
title: C4H6.37

description: Butadiene DFT B3LYP 6-31G(d,p) geometry and NBO output file (natural bonding orbitals).
DOI: 10.7910/dvn/sj00mz/9rgvhg
title: carbon_dioxide1.txt

description: Carbon dioxide DFT B3LYP 6-31G(d,p) geometry.
DOI: 10.7910/dvn/sj00mz/c99bor
title: C6H6_freq.txt

description: Benzene DFT B3LYP 6-311G(d,p) frequency analysis.
DOI: 10.7910/dvn/sj00mz/ficnmy
title: carbon_dioxide1a.txt

description: Carbon dioxide DFT B3LYP 6-31G(d,p) geometry, including NBO output.
DOI: 10.7910/dvn/sj00mz/mxtflj
title: carbon_dioxide2a.txt

description: Carbon dioxide DFT B3LYP 6-311G(d) geometry, including NBO output.
DOI: 10.7910/dvn/sj00mz/yejkbq
title: C6H6_NBO.txt

description: Benzene DFT B3LYP 6-311G(d,p) geometry and NBO output.
DOI: 10.7910/dvn/sj00mz/7nnfaw
title: carbon_dioxide3.txt

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) geometry.
DOI: 10.7910/dvn/sj00mz/gug0by
title: carbon_dioxide3a.txt

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) geometry, including NBO output.
DOI: 10.7910/dvn/sj00mz/i5yiid
title: carbon_dioxide2.txt

description: Carbon dioxide DFT B3LYP 6-311G(d) geometry.
DOI: 10.7910/dvn/sj00mz/qwyipx
title: carbon_monoxide1a.txt

description: Carbon monoxide DFT B3LYP 6-31G(d) geometry, including NBO output.
DOI: 10.7910/dvn/sj00mz/td4qky
title: carbon_monoxide1.txt

description: Carbon monoxide DFT B3LYP 6-31G(d) geometry.
DOI: 10.7910/dvn/sj00mz/tev5vi
title: carbon_monoxide2a.txt

description: Carbon monoxide DFT B3LYP 6-311G(d) geometry, including NBO output.
DOI: 10.7910/dvn/sj00mz/cf2c1i
title: CH2CH2.40

description: Ethene DFT B3LYP 6-31G(d,p) NBO output file (molecular orbitals).
DOI: 10.7910/dvn/sj00mz/ewajfk
title: carbon_monoxide3.txt

description: Carbon monoxide DFT B3LYP 6-311++G(d,p) geometry
DOI: 10.7910/dvn/sj00mz/ex3qt9
title: CH2CH2.37

description: Ethene DFT B3LYP 6-31G(d,p) NBO output file (natural bonding orbitals).
DOI: 10.7910/dvn/sj00mz/l1ehrq
title: CH2CH2.31

description: Ethene DFT B3LYP 6-31G(d,p) NBO output file.
DOI: 10.7910/dvn/sj00mz/l9bpfg
title: carbon_monoxide2.txt

description: Carbon monoxide DFT B3LYP 6-311G(d) geometry.
DOI: 10.7910/dvn/sj00mz/nvbgjn
title: carbon_monoxide3a.txt

description: Carbon monoxide DFT B3LYP 6-311++G(d,p) geometry, including NBO output.
DOI: 10.7910/dvn/yfqe9w/4x1zha
title: epperly_etal_lynching_perspectives_appendix_replication_file.R

description: :unav
DOI: 10.7910/dvn/zuh3ug/4nch5b
title: cb_Data_Main.pdf

description: :unav
DOI: 10.7910/dvn/zuh3ug/7n2bpl
title: Analysis_Main.R

description: :unav
DOI: 10.7910/dvn/zuh3ug/jqsrh1
title: Analysis_Muni_Panel.R

description: :unav
DOI: 10.7910/dvn/zuh3ug/pbdta8
title: cb_IPEHD_1892.pdf
DOI: 10.7910/dvn/zuh3ug/rh8ave
title: cb_IPEHD_1901.pdf

description: :unav
DOI: 10.7910/dvn/zuh3ug/xltnih
title: cb_GESIS_Councils.pdf

description: :unav
DOI: 10.7910/dvn/sj00mz/fbndf8
title: CH4.31

description: Methane DFT B3LYP 6-311G(d,p) NBO output data. Td point group symmetry.
DOI: 10.7910/dvn/sj00mz/kjy4fz
title: CH2CH2.46

description: Ethene DFT B3LYP 6-31G(d,p) output file.
DOI: 10.7910/dvn/sj00mz/oh6wqx
title: CH4.37

description: Methane DFT B3LYP 6-311G(d,p) NBO output data (NBO). Td point group symmetry.
DOI: 10.7910/dvn/sj00mz/vdurrg
title: CH4.40

description: Methane DFT B3LYP 6-311G(d,p) NBO output data (MO). Td point group symmetry.
DOI: 10.7910/dvn/sj00mz/xtfifg
title: CH4.39

description: Methane DFT B3LYP 6-311G(d,p) NBO output data (NLMO). Td point group symmetry.
DOI: 10.7910/dvn/yfqe9w/1ivcpe
title: epperly_etal_lynching_perspectives_replication_file.R

description: :unav
DOI: 10.7910/dvn/yfqe9w/fxgzl6
title: Epperly_et_al_README.rtf

description: :unav
DOI: 10.7910/dvn/yfqe9w/zijaln
title: epperly_etal_lynching_perspectives_data.csv

description: :unav
DOI: 10.7910/dvn/zuh3ug/9hexcm
title: cb_LandGini.pdf
DOI: 10.7910/dvn/zuh3ug/drkov1
title: cb_Map_Data.pdf

description: :unav
DOI: 10.7910/dvn/zuh3ug/ghvfky
title: cb_Map_ChildLabor.pdf

description: :unav
DOI: 10.7910/dvn/zuh3ug/grjcdy
title: cb_Votes_Weimar.pdf
DOI: 10.7910/dvn/zuh3ug/k25pvx
title: cb_Matches.pdf

description: :unav
DOI: 10.7910/dvn/zuh3ug/p6emgr
title: Data_Main.tab

description: :unav
DOI: 10.7910/dvn/sj00mz/c3vmlz
title: CO2.40

description: Carbon dioxide DFT B3LYP 6-31G(d,p) NBO output file (molecular orbitals).
DOI: 10.7910/dvn/sj00mz/gim3qp
title: CH4_FREQ.txt

description: Methane DFT B3LYP 6-311G(d,p) frequency analysis and NBO energy output data. Td point group symmetry.
DOI: 10.7910/dvn/sj00mz/lrddch
title: CH4.46

description: Methane DFT B3LYP 6-311G(d,p) NBO output data. Td point group symmetry.
DOI: 10.7910/dvn/sj00mz/tm2a1u
title: CO2.31

description: Carbon dioxide DFT B3LYP 6-31G(d,p) NBO output file.
DOI: 10.7910/dvn/sj00mz/vfdab3
title: CH4_MO.png

description: Methane DFT B3LYP 6-311G(d,p) energy minimum molecular orbitals.
DOI: 10.7910/dvn/sj00mz/w6ik5y
title: CO2.46

description: Carbon dioxide DFT B3LYP 6-31G(d,p) NBO output file.
DOI: 10.7910/dvn/zuh3ug/jspu9d
title: IPEHD_1901.tab

description: :unav
DOI: 10.7910/dvn/zuh3ug/kw8jot
title: IPEHD_1892.tab

description: :unav
DOI: 10.7910/dvn/zuh3ug/mxtt2p
title: LandGini.tab

description: :unav
DOI: 10.7910/dvn/zuh3ug/n9vry8
title: Instrument_Analysis.R

description: :unav
DOI: 10.7910/dvn/zuh3ug/ndntug
title: GESIS_Councils.tab

description: :unav
DOI: 10.7910/dvn/sj00mz/1isyh0
title: CO2_AUG.37

description: Carbon dioxide DFT B3LYP triple zeta geometry NBO output file (natural bonding orbitals).
DOI: 10.7910/dvn/sj00mz/3m6cqs
title: CO2_A.46

description: Carbon dioxide DFT B3LYP 6-311G(d) NBO output file.
DOI: 10.7910/dvn/sj00mz/atgzbk
title: CO2_AUG.31

description: Carbon dioxide DFT B3LYP triple zeta geometry NBO output file.
DOI: 10.7910/dvn/sj00mz/f1pyc4
title: CO2_A.31

description: Carbon dioxide DFT B3LYP 6-311G(d) NBO output file.
DOI: 10.7910/dvn/sj00mz/f6d0lv
title: CO2_ACCURATE_FREQ.txt

description: Carbon dioxide RHF 6-311++G(2d,p) geometry and frequency analysis output data. D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/via5gb
title: CO2_A.40

description: Carbon dioxide DFT B3LYP 6-311G(d) NBO output file (molecular orbitals).
DOI: 10.7910/dvn/zuh3ug/0w8cod
title: Matches.tab

description: :unav
DOI: 10.7910/dvn/zuh3ug/bjn6ed
title: Map_Data.tab

description: :unav
DOI: 10.7910/dvn/zuh3ug/fbasx3
title: LandIneq.R

description: :unav
DOI: 10.7910/dvn/zuh3ug/fd0iza
title: Maps.R

description: :unav
DOI: 10.7910/dvn/zuh3ug/yibgmk
title: Map_ChildLabor.tab

description: :unav
DOI: 10.7910/dvn/sj00mz/fbviim
title: CO2_B.31

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) NBO output file.
DOI: 10.7910/dvn/sj00mz/it8ese
title: CO2_AUG_FREQ.txt

description: Carbon dioxide (CO2) RHF aug-cc-pVTZ geometry, energy and frequency analysis data. D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/jjtsg5
title: CO2_B.40

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) NBO output file (molecular orbitals).
DOI: 10.7910/dvn/sj00mz/mdimgr
title: CO2_AUG.40

description: Carbon dioxide DFT B3LYP triple zeta geometry NBO output file (molecular orbitals)
DOI: 10.7910/dvn/sj00mz/yoocyk
title: CO2_AUG.46

description: Carbon dioxide DFT B3LYP triple zeta geometry NBO output file.
DOI: 10.7910/dvn/zuh3ug/9iyprx
title: README.txt

description: :unav
DOI: 10.7910/dvn/zuh3ug/kkn5fw
title: Matching_Analysis.R

description: :unav
DOI: 10.7910/dvn/zuh3ug/n37zwl
title: Matching_Prep.R

description: :unav
DOI: 10.7910/dvn/kljyxu/8l1tur
title: GBU-Presentation.pptx
DOI: 10.7910/dvn/sj00mz/ef9drr
title: CO2_CCSD.txt

description: Carbon dioxide RHF 6-311++G(2d,p) geometry and CCSD(T) energy output data. D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/gp216h
title: CO2_D4h.31

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) geometry NBO output file. D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/jqd8gp
title: CO2_B.46

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) NBO output file.
DOI: 10.7910/dvn/sj00mz/mufmts
title: CO2_D4h.46

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) geometry NBO output file. D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/t6cldu
title: CO2_D4h.37

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) geometry NBO output file (natural bonding orbitals). D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/w3p6xb
title: CO2_D4h.40

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) geometry NBO output file (molecular orbitals). D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/zuh3ug/4abkdz
title: Tax_Record_Summary.R

description: :unav
DOI: 10.7910/dvn/zuh3ug/he58qo
title: Votes_Weimar.R

description: :unav
DOI: 10.7910/dvn/zuh3ug/km01n4
title: SEM.R

description: :unav
DOI: 10.7910/dvn/sj00mz/6gijtd
title: CO2_D4h_freq.txt

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) frequency analysis. D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/ibt7dh
title: CO2_DFT_ALT.31

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) energy minimum NBO output data. D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/mvmcx7
title: CO2_D4h.txt

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) geometry and NBO output. D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/nyhc6h
title: CO2_DFT_ALT.37

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) energy minimum NBO output data (NBO). D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/thatvs
title: CO2_D4h_freq_B.txt

description: Carbon dioxide DFT B3LYP 6-311G(d,p) geometry, frequency analysis and NBO output. D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/zuh3ug/datllg
title: Wages_Prussia.R

description: :unav
DOI: 10.7910/dvn/zuh3ug/fsocse
title: Votes_Weimar.tab

description: :unav
DOI: 10.7910/dvn/sj00mz/axh7qa
title: CO2_FREQ1.txt

description: Carbon dioxide DFT B3LYP 6-311++G(2d,p) geometry, energy and frequency analysis data. D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/gseakj
title: CO2_DFT_ALT.46

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) energy minimum NBO output data. D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/ij1s2j
title: CO2_DFT_ALT_FREQ.txt

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) energy minimum output data. D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/pf3lug
title: CO2_DFT_ALT_NBO.txt

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) energy minimum NBO output data. D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/twwc1b
title: CO2_DFT_ALT.40

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) energy minimum NBO output data (MO). D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/zxzfsw
title: CO2_DFT_ALT.39

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) energy minimum NBO output data (NLMO). D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sey6pl/kkyx2x
title: HPK_2017.tab
DOI: 10.7910/dvn/sey6pl/rpzcup
title: HPK_2017.do
DOI: 10.7910/dvn/sj00mz/c79zft
title: CO.31

description: Carbon monoxide DFT B3LYP 6-311G(d) NBO output file.
DOI: 10.7910/dvn/sj00mz/fyx1v5
title: CO.46

description: Carbon monoxide DFT B3LYP 6-311G(d) NBO output file.
DOI: 10.7910/dvn/sj00mz/it8khb
title: CO.40

description: Carbon monoxide DFT B3LYP 6-311G(d) NBO output file (molecular orbitals).
DOI: 10.7910/dvn/sj00mz/otgmwn
title: CO2_TZV.txt

description: Carbon dioxide DFT B3LYP triple zeta geometry and frequency analysis (spherical functions used).
DOI: 10.7910/dvn/sj00mz/swdr4i
title: CO2_MO.png

description: Carbon dioxide DFT B3LYP 6-311++G(d,p) energy minimum molecular orbitals. D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/b9h7fw
title: CO_B.46

description: Carbon monoxide DFT B3LYP 6-311++G(d,p) NBO output file.
DOI: 10.7910/dvn/sj00mz/cvcgou
title: CO_CI.dat

description: Output data for CIS 6-31+G(d) carbon monoxide molecule (configuration interaction). C4v point group symmetry.
DOI: 10.7910/dvn/sj00mz/s5g1hu
title: CO_FREQ_SYM.txt

description: Output data for RHF 6-31+G(d) geometry-optimized carbon monoxide molecule and frequency analysis. C4v point group symmetry.
DOI: 10.7910/dvn/sj00mz/sjwy7y
title: CO_B.31

description: Carbon monoxide DFT B3LYP 6-311++G(d,p) NBO output file.
DOI: 10.7910/dvn/sj00mz/zm0ns2
title: CO_B.40

description: Carbon monoxide DFT B3LYP 6-311++G(d,p) NBO output file (molecular orbitals).
DOI: 10.7910/dvn/sj00mz/zrstvt
title: CO_CI.txt

description: Output data for CIS 6-31+G(d) carbon monoxide molecule (configuration interaction). C4v point group symmetry.
DOI: 10.7910/dvn/sj00mz/5dzquw
title: CO_SYM.31

description: DFT B3LYP 6-311++(d,p) geometry-optimized carbon monoxide molecule, frequency analysis and NBO output. C4v point group symmetry.
DOI: 10.7910/dvn/sj00mz/5j7y6e
title: CO_SYM.txt

description: DFT B3LYP 6-311++(d,p) geometry-optimized carbon monoxide molecule, frequency analysis and NBO output. C4v point group symmetry.
DOI: 10.7910/dvn/sj00mz/gxhjak
title: cyclopropane1.txt

description: Cyclopropane (C3H6) DFT B3LYP 6-31G(d) geometry.
DOI: 10.7910/dvn/sj00mz/o53fjk
title: CO_SYM.40

description: DFT B3LYP 6-311++(d,p) geometry-optimized carbon monoxide molecule, frequency analysis and NBO output (molecular orbitals). C4v point group symmetry.
DOI: 10.7910/dvn/sj00mz/rbomer
title: CO_SYM.37

description: DFT B3LYP 6-311++(d,p) geometry-optimized carbon monoxide molecule, frequency analysis and NBO output (natural bonding orbitals). C4v point group symmetry.
DOI: 10.7910/dvn/sj00mz/rmxk47
title: CO_SYM.46

description: DFT B3LYP 6-311++(d,p) geometry-optimized carbon monoxide molecule, frequency analysis and NBO output. C4v point group symmetry.
DOI: 10.7910/dvn/sj00mz/74av12
title: cyclopropenyl_cation1.txt

description: Cyclopropenyl cation (C3H3+) DFT B3LYP 6-31G(d) geometry.
DOI: 10.7910/dvn/sj00mz/djvllo
title: cyclopropane_freq.txt

description: Cyclopropane (C3H6) DFT B3LYP 6-311G(d,p) geometry, energy and frequency analysis data. D3h point group symmetry.
DOI: 10.7910/dvn/sj00mz/lzh0w5
title: Ethene_DFT1.txt

description: Ethene (ethylene) DFT B3LYP 6-311++G(2d,p) geometry, energy and frequency analysis data. D2h point group symmetry.
DOI: 10.7910/dvn/sj00mz/rbckvu
title: cyclopropane2.txt

description: Cyclopropane (C3H6) DFT B3LYP 6-31G(d) geometry: UHF MP2 6-31G(d) energy.
DOI: 10.7910/dvn/sj00mz/zqtemx
title: cyclopropenyl_cation2.txt

description: Cyclopropenyl cation (C3H3+) DFT B3LYP 6-31G(d) geometry; UHF MP2 6-31G(d) energy.
DOI: 10.7910/dvn/sj00mz/8fxykf
title: ethyne_NBO.txt

description: Ethyne (C2H2) DFT B3LYP 6-31G(d,p) geometry, including NBO output data.
DOI: 10.7910/dvn/sj00mz/d22xmw
title: ethene.txt

description: DFT B3LYP 6-31G(d,p) geometry.
DOI: 10.7910/dvn/sj00mz/hybvrp
title: ethene_NBO.txt

description: Ethene (ethylene) DFT B3LYP 6-31G(d,p) geometry, NBO output and frequency analysis data.
DOI: 10.7910/dvn/sj00mz/irnfsw
title: Ethene_DFT2.txt

description: Ethene (ethylene) DFT B3LYP 6-311G(d,p) geometry, energy and frequency analysis data. D2h point group symmetry.
DOI: 10.7910/dvn/sj00mz/nozns7
title: Ethene_MP2.txt

description: Ethene (ethylene) RHF 6-311G(d,p) (+ MP2 gradient correlation) geometry, energy and frequency analysis data. D2h point group symmetry.
DOI: 10.15468/dl.7hnn6w
title: Occurrence Download

description: A dataset containing 6648 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Panthera tigris (Linnaeus, 1758)"
 ]
}

 The dataset includes 6648 records from 126 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0029009-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.7910/dvn/abpntj/dhc1ou
title: A45001_A66995.zip
DOI: 10.7910/dvn/abpntj/uiim6g
title: A00011_A44999.zip
DOI: 10.7910/dvn/abpntj/utu97i
title: A67000_N29551.zip
DOI: 10.7910/dvn/sj00mz/bqiohv
title: ethyne.txt

description: Ethyne (C2H2) DFT B3LYP 6-31G(d,p) geometry.
DOI: 10.7910/dvn/sj00mz/fyjplx
title: formaldehyde_NBO.txt

description: Formaldehyde (methanal) DFT B3LYP 6-31G(d,p) geometry, NBO output and frequency analysis data.
DOI: 10.7910/dvn/sj00mz/g9g3et
title: formaldehyde.txt

description: Formaldehyde (methanal) DFT B3LYP 6-31G(d,p) geometry.
DOI: 10.7910/dvn/sj00mz/hhyzcz
title: Fullerene.31

description: Buckminsterfullerene (C60) DFT B3LYP 6-31G(d) NBO output data (PM6 geometry).
DOI: 10.7910/dvn/sj00mz/qdmxvd
title: Fullerene.40

description: Buckminsterfullerene (C60) DFT B3LYP 6-31G(d) NBO output data (PM6 geometry).
DOI: 10.7910/dvn/sj00mz/vo7w6l
title: Fullerene.37

description: Buckminsterfullerene (C60) DFT B3LYP 6-31G(d) NBO output data (PM6 geometry).
DOI: 10.7910/dvn/sj00mz/67e8ye
title: Fullerene_ELF.jpg

description: Buckminsterfullerene (C60) Savin ELF surfaces (isovalue = 0.8) via Gabedit 2.4.8 and DFT B3LYP 6-31G(d) single-point energy (PM6 geometry).
DOI: 10.7910/dvn/sj00mz/j2awln
title: Fullerene.46

description: Buckminsterfullerene (C60) DFT B3LYP 6-31G(d) NBO output data (PM6 geometry).
DOI: 10.7910/dvn/sj00mz/jshm4h
title: Fullerene_FREQ.txt

description: Buckminsterfullerene (C60) semi-empirical PM6 geometry, energy and frequency analysis data.
DOI: 10.7910/dvn/sj00mz/qr8zkq
title: Fullerene_LUMO.jpg

description: Buckminsterfullerene (C60) DFT B3LYP 6-31G(d) single-point energy LUMO = -3.13 eV (181 A). PM6 geometry. There are three degenerate LUMOs.
DOI: 10.7910/dvn/sj00mz/rejxio
title: Fullerene_HOMO.jpg

description: Buckminsterfullerene (C60) DFT B3LYP 6-31G(d) single-point energy HOMO = -6.04 eV (180 A). PM6 geometry. There are five degenerate HOMOs.
DOI: 10.7910/dvn/sj00mz/ydggld
title: Fullerene_NBO.txt

description: Buckminsterfullerene (C60) DFT B3LYP 6-31G(d) single-point energy and NBO output data (PM6 geometry).
DOI: 10.7910/dvn/b09bcs/c3jmea
title: README_MPG_v1.pdf
DOI: 10.7910/dvn/b09bcs/jwkgrw
title: MPG_codebook.pdf
DOI: 10.7910/dvn/b09bcs/n17m3l
title: MPG_data.tab
DOI: 10.7910/dvn/sj00mz/021gel
title: H2_AUG_FREQ.txt

description: Hydrogen RHF aug-cc-pVTZ geometry and frequency analysis data.
DOI: 10.7910/dvn/sj00mz/dgesfs
title: H2_AUG_CI.txt

description: Hydrogen RHF aug-cc-pVTZ geometry and excited state CI (configuration interactions) data.
DOI: 10.7910/dvn/sj00mz/pve33s
title: H2_AUG_CI.dat

description: Hydrogen RHF aug-cc-pVTZ geometry and excited state CI (configuration interactions). Data output file.
DOI: 10.7910/dvn/sj00mz/st8rh5
title: H2_CI.dat

description: Output data for CI 6-31+G(d,p) hydrogen molecule (configuration interaction). D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/wwcrfh
title: Fullerene.pdb

description: Buckminsterfullerene (C60) semi-empirical PM6 geometry co-ordinates (see also Fullerene_FREQ).
DOI: 10.7910/dvn/sj00mz/0rogfx
title: H2_CI.txt

description: Output data for CI 6-31+G(d,p) hydrogen molecule (configuration interaction). D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/dujtsh
title: H2CO.40

description: Formaldehyde (methanal) DFT B3LYP 6-31G(d,p) geometry NBO output file (molecular orbitals).
DOI: 10.7910/dvn/sj00mz/eo2q7o
title: H2_freq.txt

description: Output data for RHF 6-31+G(d,p) geometry-optimized hydrogen molecule and frequency analysis. D4h point group symmetry.
DOI: 10.7910/dvn/sj00mz/nahkg4
title: H2CO.46

description: Formaldehyde (methanal) DFT B3LYP 6-31G(d,p) geometry NBO output file.
DOI: 10.7910/dvn/sj00mz/oldo2t
title: H2CO.37

description: Formaldehyde (methanal) DFT B3LYP 6-31G(d,p) geometry NBO output file (natural bonding orbitals).
DOI: 10.7910/dvn/sj00mz/pe3xbh
title: H2CO.31

description: Formaldehyde (methanal) DFT B3LYP 6-31G(d,p) geometry NBO output file.
DOI: 10.7910/dvn/sj00mz/deywhe
title: H2_PBE0_FREQ.txt

description: Hydrogen DFT PBE0 6-311++G(d,p) frequency analysis data. Dnh 4 symmetry.
DOI: 10.7910/dvn/sj00mz/gham1b
title: H2O_MO.png

description: Water DFT B3LYP 6-311G(d,p) energy minimum molecular orbitals.
DOI: 10.7910/dvn/sj00mz/1wl1xq
title: HCCH.37

description: Acetylene (ethyne) DFT B3LYP 6-31G(d,p) geometry NBO output file (natural bonding orbitals).
DOI: 10.7910/dvn/sj00mz/9cdzap
title: H2_TDDFT.txt

description: Hydrogen TDDFT PBE0 6-311++G(d,p) excitation energies. Dnh 4 symmetry.
DOI: 10.7910/dvn/sj00mz/iyirvd
title: HCCH.31

description: Ethyne (acetylene) DFT B3LYP 6-31G(d,p) NBO output file.
DOI: 10.7910/dvn/sj00mz/krwgm7
title: H2_TDDFT_SMALL.txt

description: Hydrogen TDDFT PBE0 6-31+G(d,p) excitation energies. Dnh 4 symmetry.
DOI: 10.7910/dvn/sj00mz/po9rzd
title: H2_PBE0_SMALL.txt

description: Hydrogen DFT PBE0 6-31+G(d,p) frequency analysis data. Dnh 4 symmetry.
DOI: 10.7910/dvn/sj00mz/vy905l
title: HCCH.40

description: Ethyne (acetylene) DFT B3LYP 6-31G(d,p) NBO output file (molecular orbitals).
DOI: 10.7910/dvn/sj00mz/hxvh4f
title: HCCH_CI.txt

description: Output data for CIS 6-31+G(d) acetylene molecule (configuration interaction). D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/jbroux
title: HCCH_CI.dat

description: Output data for CIS 6-31+G(d) acetylene molecule (configuration interaction). D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/laitii
title: HCCH_AUG_CI.txt

description: Acetylene RHF aug-cc-pVTZ geometry and excited state CI (configuration interactions) data.
DOI: 10.7910/dvn/sj00mz/raveoy
title: HCCH_AUG_CI.dat

description: Acetylene RHF aug-cc-pVTZ geometry and excited state CI (configuration interactions). Data output file.
DOI: 10.7910/dvn/sj00mz/wbe3zi
title: HCCH_AUG_FREQ.txt

description: Acetylene RHF aug-cc-pVTZ geometry and frequency analysis data.
DOI: 10.7910/dvn/sj00mz/wwlsc2
title: HCCH.46

description: Ethyne (acetylene) DFT B3LYP 6-31G(d,p) NBO output file.
DOI: 10.7910/dvn/rhp5gh/3jysxa
title: References-1.docx

description: Reference list for Dark Personality Features and Employment chapter by Anna Czarna and Aleksandra Zajas
DOI: 10.7910/dvn/rhp5gh/doq8lh
title: References.docx

description: This is a full reference list for 
Czarna, A.,  Zajas, A.(2018). Dark Personality Features and Employment. In Zeigler-Hill, V.,  Schackelford, T.K. (Eds.), Encyclopedia of Personality and Individual Differences. Springer Publishing.
DOI: 10.7910/dvn/sj00mz/0ptfo0
title: HCCH_POPLE.40

description: DFT 6-31+G(d,p) geometry-optimized acetylene (ethyne) NBO output data (molecular orbitals). D4h (Dinfh) point group symmetry.
DOI: 10.7910/dvn/sj00mz/a7srb7
title: HCCH_POPLE.37

description: DFT 6-31+G(d,p) geometry-optimized acetylene (ethyne) NBO output data (natural bonding orbitals). D4h (Dinfh) point group symmetry.