cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.b9q5t2
title: Occurrence Download

description: A dataset containing 158 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Sauromatum venosum (Dryand. ex Aiton) Kunth",
 "HasCoordinate is true",
 "Year is greater than or equal to 1900",
 "BasisOfRecord is one of (Human Observation, Specimen, Unknown evidence)"
 ]
}

 The dataset includes 158 records from 29 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0057678-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.w8npjv
title: Occurrence Download

description: A dataset containing 68 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "BasisOfRecord is Material sample",
 "BasisOfRecord is Specimen"
 ]
 },
 "OccurrenceStatus is Present",
 "TaxonKey is Etrumeus golanii DiBattista, Randall & Bowen, 2012",
 "Year 2010-2020"
 ]
}

 The dataset includes 68 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0169448-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ak5vsj
title: Occurrence Download

description: A dataset containing 57 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Leopardus jacobitus (Cornalia, 1865)"
 ]
}

 The dataset includes 57 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0106077-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.5qrj4x
title: Occurrence Download

description: A dataset containing 66 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Aspalathus cerrhantha Eckl. & Zeyh."
 ]
}

 The dataset includes 66 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0062355-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-48012
title: Redemption tidings, vol. 24, nos. 1-26, 2 Jan. - 17 Dec. 1948

description: [description english/roman)] Issued fortnightly (every two weeks). "A full gospel magazine for all believers" -- subtitle. Includes Tidings from our missionaries in each issue (2-16 Jan., 13 Feb. - 23 Apr., 21 May - 17 Dec. 1948) except vol. 24 nos. 3 & 10. Bound with vol. 25.
DOI: 10.15468/dl.nyj8ja
title: Occurrence Download

description: A dataset containing 125983 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is EOD – eBird Observation Dataset",
 "Geometry POLYGON((-99 40,-90 40,-90 44,-99 44,-99 40))",
 "TaxonKey is Branta canadensis (Linnaeus, 1758)",
 "Year 2017-2022"
 ]
}

 The dataset includes 125983 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0178796-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mxmaxu
title: Occurrence Download

description: A dataset containing 47 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Rasbora vulgaris Duncker, 1904"
 ]
}

 The dataset includes 47 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0343348-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4cr66h
title: Occurrence Download

description: A dataset containing 327 species occurrences available in GBIF matching the query:
{
 "and" : [
 "VerbatimScientificName is Batrachostomus javensis",
 "BasisOfRecord is one of (Machine Observation, Human Observation)",
 "Year 2011-2021",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen, Specimen, Material citation, Material sample)"
 ]
 }
 }
 ]
}

 The dataset includes 327 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0063338-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.m4yz4z
title: Occurrence Download

description: A dataset containing 176921 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is United States of America",
 "OccurrenceStatus is Present",
 "TaxonKey is Asclepias L."
 ]
}

 The dataset includes 176921 records from 205 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0178780-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cgqwc9
title: Occurrence Download

description: A dataset containing 7851 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Oreochromis mossambicus (Peters, 1852)"
 ]
}

 The dataset includes 7851 records from 136 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019996-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-48183
title: Redemption tidings, vol. 25, nos. 1-26, 7 Jan. - 23 Dec. 1949

description: [description english/roman)] Issued fortnightly (every two weeks). "A full gospel magazine for all believers" -- subtitle. Includes Tidings from our missionaries (7 Jan. - 30 Sept. 1940) & We hold the lines (14 Oct. - 23 Dec. 1949) in each issue. Bound with vol. 24.
DOI: 10.15468/dl.wvw7xb
title: Occurrence Download

description: A dataset containing 1509 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Vallisneria americana Michx.",
 "HasCoordinate is true",
 "Year is greater than or equal to 1900",
 "BasisOfRecord is one of (Human Observation, Specimen, Unknown evidence)"
 ]
}

 The dataset includes 1509 records from 91 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0057614-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gwcpwc
title: Occurrence Download

description: A dataset containing 576 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pyrilia vulturina (Kuhl, 1820)"
 ]
}

 The dataset includes 576 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002711-250415084134356/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.d82vy4
title: Occurrence Download

description: A dataset containing 162 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Inventario forestal de una parcela permanente de restauración en el Parque Nacional Natural Alto Fragua Indi Wasi, en la vereda La Estrella, Caquetá"
 ]
}

 The dataset includes 162 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002712-250415084134356/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.2909/51290962-3beb-4bac-bd06-0997de245949
title: Land Surface Phenology Season Minimum Value 2023-present (raster 300 m), global, yearly - version 1-

description: Provides the average Plant Phenology Index value of the minima on left and right sides of each season. The data at global level are updated in the first quarter of each year. The data are available from 2023 to the present at about 300 m spatial resolution.
DOI: 10.15468/dl.7setbn
title: Occurrence Download

description: A dataset containing 3284 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Podiceps gallardoi Rumboll, 1974"
 ]
}

 The dataset includes 3284 records from 14 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002714-250415084134356/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14469/hpc/7639
title: PhICC + 1,4-dihydrobenzene, Def2-SVPD guess(mix) G = -838.070045 &lt;S**2&gt;= 0.3450 IRC forward

description: Gaussian Calculation
DOI: 10.14469/hpc/7643
title: PhICC + 1,4-dihydrobenzene, Def2-SVPD G = -838.066410 IRC =&gt; acetylene

description: Gaussian Calculation
DOI: 10.14469/hpc/7647
title: test

description: Gaussian Calculation
DOI: 10.14469/hpc/7654
title: Me3P wB97XD/Def2-SVPD SCRF=DCM G = -460.793977 + -75.791993 = -536.58597 (DG = 145.3)

description: Gaussian Calculation
DOI: 10.14469/hpc/7674
title: PhICC+CCIPh-1,2 G = -1210.034333 guess(mix)

description: Gaussian Calculation
DOI: 10.14469/hpc/7735
title: PhICC + CCCCCCIPh 1,2 -TS with phenyl groups rotated E = -1362.2934, G = -1362.138842 (1 -ve FC) Cs symmetry =&gt;

description: Gaussian Calculation
DOI: 10.14469/hpc/7737
title: Pentafluorophenyl-I, Def2-SVPD, SCRF=DCM G = -1024.837486

description: Gaussian Calculation
DOI: 10.14469/hpc/7740
title: pentafluoroPhICC + phenoxy,1,2-TS, Def2-SVPD, SCRF=DCM, G = -1407.151061 DG = 21.8

description: Gaussian Calculation
DOI: 10.14469/hpc/7756
title: PhIC8 ring closure reactant, Def2-SVPD, SCRF=DCM, G = -833.198616

description: Gaussian Calculation
DOI: 10.14469/hpc/7759
title: PhIC10 ring closure 1,1-TS, Def2-SVPD, SCRF=DCM, G = -909.187173, DG = 43.8

description: Gaussian Calculation
DOI: 10.14469/hpc/7760
title: PhIC6 ring closure, 1,1-TS, Def2-SVPD, SCRF=DCM G = -757.040878 DG = 62.4

description: Gaussian Calculation
DOI: 10.14469/hpc/7761
title: PhIC8 ring closure 1,1-TS, Def2-SVPD, SCRF=DCM, G = -833.095011, DG = 65.0

description: Gaussian Calculation
DOI: 10.14469/hpc/7768
title: 1,3,5-trifluoromethylphenylICC, G = -1615.165882

description: Gaussian Calculation
DOI: 10.14469/hpc/7795
title: PA: CCIPh, DH -604.983904, H = -0.145664, PA = 197.6

description: Gaussian Calculation
DOI: 10.14469/hpc/7832
title: Ph-Stevens, 1,2 with inversion "allowed" UHF RP for C-N bond formation G = -522.799570, IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7962
title: MPV 1 + t-butyl, b3lyp+GD3BJ/Def2-SVPP, SCRF=THF, TS, G = -1712.701142

description: Gaussian Calculation
DOI: 10.14469/hpc/7974
title: MPV 1 + perfluoro-t-butyl, b3lyp+GD3BJ/Def2-SVPP, SCRF=THF, TS, G = -2605.288901

description: Gaussian Calculation
DOI: 10.14469/hpc/7983
title: Molnupiravir, nitrone-keto form G = -1197.905721

description: Gaussian Calculation
DOI: 10.14469/hpc/7994
title: Deltamethrin, active isomer, S,R,R, G = -6278.771812, DG = 33.6

description: Gaussian Calculation
DOI: 10.14469/hpc/8080
title: IFEJUA

description: Gaussian Calculation
DOI: 10.14469/hpc/8125
title: Me2S-CC 2nd stage wB97XD/Def2-TZVPPD SCRF=DCM, G =-1108.115085 (50.9 lower than TS1) IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/8180
title: Me2S-CC 1,1-dimerisation wB97XD/Def2-TZVPPD SCRF=DCM, 2nd phase, 3-7 G = -1108.064236

description: Gaussian Calculation
DOI: 10.14469/hpc/8193
title: GAJXOH, Osmium

description: Gaussian Calculation
DOI: 10.14469/hpc/8207
title: TISQOE Hf-O (-2)

description: Gaussian Calculation
DOI: 10.14469/hpc/8272
title: Me2O-CC 1,2-dimerisation, G = -461.924414, 24.6

description: Gaussian Calculation
DOI: 10.14469/hpc/8377
title: SUCROS23, Anomeric effect, CDCl3, wB98XD/Def2-TZVPPD Final NBO

description: Gaussian Calculation
DOI: 10.14469/hpc/8469
title: PhICC + cyclopropylidene Reactant G =-720.257849

description: Gaussian Calculation
DOI: 10.14469/hpc/8691
title: YUHJUG opt with charge = 0.0, NMR

description: Gaussian 16 calculation
DOI: 10.14469/hpc/8697
title: YUHJUG charge = 0.9

description: Gaussian 16 calculation
DOI: 10.14469/hpc/8712
title: Di-Et3C-cyclopropenylidene dimerisation G = -1329.320538 DG = 15.2

description: Gaussian 16 calculation
DOI: 10.14469/hpc/8713
title: Di-t-butyl cyclopropenylidene monomer G = -429.207937 (-858.390346)

description: Gaussian 16 calculation
DOI: 10.14469/hpc/10408
title: MEPHPY01 B3LYP+GD3BJ. Def2-SVPP, in gas phase, double zwitterionic intermediate, G = -1984.426827 ( -1984.448369) DG = 13.5

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10438
title: MEPHPY01 B3LYP+GD3BJ. DCM, Def2-SVPP, TS for PT saddle=3

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10439
title: MEPHPY01 B3LYP no dispersion. Def2-TZVPP, in gas phase, saddle=0, non zwitterionic G= -1986.509333

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10463
title: MEPHPY01 B3LYP+GD3BJ. Def2-TZVPP, TS for PT saddle=1 G = -1986.691518

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10515
title: Lu(Cp)3, Def2-SVP

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10642
title: C3O6, D3h, Def2=-TZVPP, water ts G = -565.696377 DG = 24.0 IRC

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10808
title: Oxetane to lactone conversion, TS, G = -420.353782

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10891
title: Oxetane dimer, isomer 1 TS, G = -840.862584, IRC

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11153
title: Periodododecahedrane, neutral Def2-TZVPP, 2I2 extruded

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11163
title: trioxapropellane, TS to CO2 + CO, IRC

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11165
title: trioxapropellane, TS to CO2 + CO, TS1, IRC

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11190
title: perchlorododecahedrane, Def2-TZVPPD, Ih symmetry, NMR freq

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11253
title: proxyozone cycloreversion, TS, G = -323.504807

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/12438
title: 1,3,5-tri-tert-butyl-1,3,5-triazinane-2,4,6-trione, Cs symmetry saddle=3

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/12568
title: LiCl aromatic, amide trimer NICS

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/6930
title: Nitroxide radical anion with HOMO/SUMO switched? gas phase Cs

description: Gaussian Calculation
DOI: 10.14469/hpc/7017
title: Michael 1,4 addition, G = -515.564222 TS1, IRC for PT

description: Gaussian Calculation
DOI: 10.14469/hpc/7021
title: Michael 1,4 addition G = -515.580499, =&gt; Zwitterionic intermediate G = -515.594366

description: Gaussian Calculation
DOI: 10.14469/hpc/7425
title: [10]-annulene, two electrocyclisations or one cycloaddition? Exo, IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7458
title: [20] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4a saddle=3 NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/7474
title: [20] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4s cis C2 symmetry saddle=2 G =-774.059141

description: Gaussian Calculation
DOI: 10.14469/hpc/7482
title: [20] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4s cis Cs symmetry saddle=3 G = -774.048172 NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/7489
title: [20] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4s cis C2 symmetry dianion saddle=2 G = -773.970328 wfn NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/7490
title: [20] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4s trans D2 symmetry dication saddle=2 WFN NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/7495
title: [20] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4s trans D2 symmetry dianion saddle=3 NICS water

description: Gaussian Calculation
DOI: 10.14469/hpc/7525
title: [20] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4s cis C2 symmetry dianion saddle=2 water

description: Gaussian Calculation
DOI: 10.14469/hpc/7583
title: CC-IPh + MeO* IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7591
title: CC, CCSD(T)/Def2-SVP/SCRF=DCM, G = -75.671045

description: Gaussian Calculation
DOI: 10.14469/hpc/7637
title: PhICC + 1,4-dihydrobenzene, Def2-SVPD G = -838.066410

description: Gaussian Calculation
DOI: 10.14469/hpc/7655
title: PhICC + 9,10-dihydroanthracene, 1,1-TS, Def2-SVPD guess(mix) TS IRC forward

description: Gaussian Calculation
DOI: 10.14469/hpc/7673
title: PhICC+CCIPh-1,2 G = -1210.034333 stable

description: Gaussian Calculation
DOI: 10.14469/hpc/7722
title: CF3ICC Def2-SVPD, SCRF=DCM, G =

description: Gaussian Calculation
DOI: 10.14469/hpc/7723
title: CF3I Def2-SVPD CPCM=DCM, G = -635.089347

description: Gaussian Calculation
DOI: 10.14469/hpc/7764
title: PhIC6 ring closure, 1,1-TS, Def2-SVPD, SCRF=DCM IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7834
title: Ph-Stevens, TS 1,2 with retention "forbidden", RHF, Def2-SVP, water, G = -522.739335 IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7838
title: Ph-Stevens, 1,2 with inversion "allowed" UHF RP for C-N bond formation G = -522.799570, IRC =&gt; ion pair

description: Gaussian Calculation
DOI: 10.14469/hpc/7839
title: Ph-Stevens, TS 1,2 with retention "forbidden", RHF, rotamer, G = -522.738530

description: Gaussian Calculation
DOI: 10.14469/hpc/7968
title: MPV 1 + adamantyl, b3lyp+GD3BJ/Def2-SVPP, SCRF=THF Reactant, G = -1944.737849

description: Gaussian Calculation
DOI: 10.14469/hpc/7979
title: Molnupiravir, hydroxylamine tautomer G = -1197.918349

description: Gaussian Calculation
DOI: 10.14469/hpc/8149
title: CC wB97XD/Def2-SVPD SCRF=DCM, G = -75.791996

description: Gaussian Calculation
DOI: 10.14469/hpc/8161
title: Me3P-CC 1,1-dimerisation wB97XD/Def2-TZVPPD SCRF=DCM

description: Gaussian Calculation
DOI: 10.14469/hpc/8197
title: GAJXOH, Molybdenum

description: Gaussian Calculation
DOI: 10.14469/hpc/8202
title: TISQOE FeN(+)

description: Gaussian Calculation
DOI: 10.14469/hpc/8208
title: TISQOE Ta-N (-2)

description: Gaussian Calculation
DOI: 10.14469/hpc/8212
title: TISQOE Re-N

description: Gaussian Calculation
DOI: 10.14469/hpc/8213
title: TISQOE W-O

description: Gaussian Calculation
DOI: 10.14469/hpc/8218
title: TISQOE Ru-N(+)

description: Gaussian Calculation
DOI: 10.14469/hpc/8274
title: 10.14469/hpc/4452 with amine added to carbonyl and PT (TI4 = -1083.041324) G = -1082.988629

description: Gaussian Calculation
DOI: 10.14469/hpc/8400
title: MUZZIS symm NBO

description: Gaussian Calculation
DOI: 10.14469/hpc/8470
title: cyclopropylidene dimerisation, exo, G = -230.413639

description: Gaussian Calculation
DOI: 10.14469/hpc/8545
title: MUZZIS G = -4086.797087

description: Gaussian Calculation
DOI: 10.14469/hpc/8707
title: Di-t-Butyl-cyclopropylidene dimerisation, exo, C2h, G = -858.390346, IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/8714
title: cyclopropenylidene

description: Gaussian 16 calculation
DOI: 10.14469/hpc/8728
title: TMS wB97XD/Def2-SVPP/DCM

description: Gaussian Calculation
DOI: 10.14469/hpc/8767
title: {(t-Bu)C)2C3 dimerisation Def2-SVPP product E = -2272.1919 G = -2270.707373

description: Gaussian 16 calculation
DOI: 10.14469/hpc/10091
title: wfx

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10491
title: Kemp + 1H2O, wB97XD/Def2-TZVPPD/water, GS G Houk structure G = -664.206909

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10503
title: Kemp + 2H2O, wB97XD/Def2-TZVPPD/water, GS G -740.647838 Houk structure

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10813
title: tetramethylOxetane to lactone conversion, wB97XD/Def2-SVPP, TS, G = -577.376334

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10816
title: difluoroOxetane to lactone conversion, TS, IRC

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10842
title: Oxetane to lactone conversion, with extra HCl .2H2O as proton transfer agent and inversion, IRC

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10843
title: Oxetane to lactone conversion, with formic acid as proton transfer agent and inversion, IRC

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11098
title: Cyclopropyl solvolysis coupled to WH in water

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11100
title: Perfluorododecahedrane, neutral in CDCl3 at optimized geometry

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11101
title: Perfluorododecahedrane, radical anion in CDCl3 at neutral geometry

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11107
title: tetrafluorotetrahedrane radical anion

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11110
title: Periodododecahedrane, neutral

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11137
title: One octafluorocubane, MP2, Def2-TZVPP 2E = -2,203.607698, 2H = -2,203.441504, 2G = -2,203.539794

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11139
title: One octafluorocubane, MP2, Def2-TZVPP 2E = -2,203.607698, 2H = -2,203.441504, 2G = -2,203.539794

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11171
title: perchlorododecahedrane, Def2-TZVPPD, Ih symmetry, radical anion, in CDCl3 at optimized geometry

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11264
title: water attack on carbonyl imine, =&gt; liberation of hydroxylamine, 3H2O

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11268
title: proxyozone cycloreversion, TS, N-Ar, m-CF3, m-NO2, Def2-TZVPP, =&gt; 2H2O, water attack on carbonyl imine, G = -1209.729062

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11283
title: proxyozone cycloreversion, TS, Def2-TZVPP, G = -323.504807, IRC

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11285
title: proxyozone cycloreversion, TS, N-Ar, m-CF3, m-NO2, Def2-TZVPP guess(mix) =&gt; 3H2O solvating oxygen, G = -1286.149968

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/12350
title: 4-bond-rotation-PTPT

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/12447
title: 1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione, Cs symmetry NBO

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/12901
title: oxyhemocyanin, Def2-TZVPP di-cation

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13599
title: Wilkinson catalyst dimer, C2v, G = -2513.241765 (-1,679.3760665)

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/15235
title: S7O2 NBO7 Cs symmetry

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/6936
title: nitroxide radical anion with HOMO/SUMO switched? + water solvation, Cs symmetry UMO62X CO2(-) group rotated

description: Gaussian Calculation
DOI: 10.14469/hpc/7568
title: Cl3AlClCN + benzene Product ion pair before H abstraction G = -2408.543730

description: Gaussian Calculation
DOI: 10.14469/hpc/7572
title: MeI + (-)CC-IMe New model, 1,2 SN2 C2 DCM IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7595
title: C-IPh + PhO radical, Cs Reactant G = -719.993341

description: Gaussian Calculation
DOI: 10.14469/hpc/7602
title: C-IMe + PhO radical, Cs TS Def2-TZVPPD 2-ve FC, E = -720.52071 G = -720.425177 DG = 22.0

description: Gaussian Calculation
DOI: 10.14469/hpc/7670
title: PhICC + 9,10-dihydroanthracene, 1,2 Saddle=1, RHF IRC reverse

description: Gaussian Calculation
DOI: 10.14469/hpc/7681
title: NH3 + CCIPh, 1,2-TS, Def2-SVPD/SCRF=DCM, G = -661.481807

description: Gaussian Calculation
DOI: 10.14469/hpc/7752
title: CC-IPh + Galvinoxyl 1,2-TS, Def2-SVPD G = -1883.404654 =&gt; gas phase G = -1883.386275

description: Gaussian Calculation
DOI: 10.14469/hpc/7758
title: PhIC10 ring closure reactant, Def2-SVPD, SCRF=DCM, G = -909.256969

description: Gaussian Calculation
DOI: 10.14469/hpc/7827
title: Stevens, 1,2 with inversion "allowed" UHF, TS C-N bond G = -291.945367

description: Gaussian Calculation