cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.uwqw7y
title: Occurrence Download

description: A dataset containing 40206 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Month is one of (January, February)",
 "OccurrenceStatus is Present",
 "TaxonKey is Buteo jamaicensis (Gmelin, 1788)",
 "Year 2011-2011"
 ]
}

 The dataset includes 40206 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0063102-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xxne8g
title: Occurrence Download

description: A dataset containing 3839 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Melaleuca leucadendra (L.) L.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 3839 records from 115 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0063104-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14625353
title: Діагностика цілісності особистості та емоційних психологічних станів педагогічних працівників НУШ

description: подано інформацію про методики діагностики цілісності особистості та емоційних психологічних станів педагогічних працівників НУШ та статистичний аналіз показників, отриманих за результатами діагностики. У межах виконання прикладного наукового дослідження «Розвиток психологічної готовності педагогічного персоналу до професійної діяльності в умовах  Нової української школи» РК № 0120U100227 (2020-2022 рр.)
description: provides information on the methods of diagnosing the integrity of the personality and emotional psychological states of NUS teachers and statistical analysis of the indicators obtained from the diagnostic results.  Within the framework of the applied research “Development of psychological readiness of teaching staff for professional activity in the conditions of the New Ukrainian School” RC № 0120U100227 (2020-2022)
DOI: 10.5281/zenodo.14625354
title: Діагностика цілісності особистості та емоційних психологічних станів педагогічних працівників НУШ

description: подано інформацію про методики діагностики цілісності особистості та емоційних психологічних станів педагогічних працівників НУШ та статистичний аналіз показників, отриманих за результатами діагностики. У межах виконання прикладного наукового дослідження «Розвиток психологічної готовності педагогічного персоналу до професійної діяльності в умовах  Нової української школи» РК № 0120U100227 (2020-2022 рр.)
description: provides information on the methods of diagnosing the integrity of the personality and emotional psychological states of NUS teachers and statistical analysis of the indicators obtained from the diagnostic results.  Within the framework of the applied research “Development of psychological readiness of teaching staff for professional activity in the conditions of the New Ukrainian School” RC № 0120U100227 (2020-2022)
DOI: 10.15468/dl.xgu4rn
title: Occurrence Download

description: A dataset containing 47979 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Mespilus germanica L.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 47979 records from 611 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0063105-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.byq4c2
title: Occurrence Download

description: A dataset containing 72 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((72.37258 14.43993,117.62742 14.43993,117.62742 32.56007,72.37258 32.56007,72.37258 14.43993))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Cymbidium cyperifolium Wall. ex Lindl."
 ]
}

 The dataset includes 72 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0063106-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.27909235
title: Conflict, politics, and ideology: Human remains in central Kansas Little River Focus council circles

description: More than a century after their discovery, archaeologists continue to debate the purpose of structures, known as council circles, found in the Little River focus of central Kansas. Waldo Wedel ([1940a.] Rv2: Ossuary. This is the field notes for the council circle excavations at Tobias in 1940. <i>Waldo R. Wedel and Mildred Mott Wedel Papers</i>, Box 42. National Anthropological Archives, National Museum of Natural History, Smithsonian Institution, Washington, DC.) thought they were ossuaries. Later, he suggested solstice registers (Wedel [1967a] The Council Circles of Central Kansas: Were They Solstice Registers? <i>American Antiquity</i> 32:54–63.). Vehik ([2002]. Conflict, Trade, and Political Development on the Southern Plains. <i>American Antiquity</i> 67:37–64; [2022]. Ideology and Political Development: The Little River Focus Council Circles of Central Kansas. In <i>People in a Sea of Grass: Archaeology’s Changing Perspectives on Indigenous Plains Communities</i>, edited by Matthew E. Hill, and Lauren W. Ritterbush, pp. 72–97. University of Utah Press, Salt Lake City.) proposed they were ritual facilities built as part of a strategy to increase political power, wealth, and authority. Baugh and Blaine ([2017]. Enduring the Violence: Four Centuries of Kirikir’i‧s Warfare. <i>Plains Anthropologist</i> 62(242):99–132.) argued the presence of human bone indicated the facilities were fortifications. Investigated here is the distribution of human bone in council circles and other Little River focus contexts. Also explored are several test implications for their use as fortifications. Results indicate that the council circles were not fortifications, but instead reflect continued attempts to increase power and authority.
DOI: 10.6084/m9.figshare.27909235.v1
title: Conflict, politics, and ideology: Human remains in central Kansas Little River Focus council circles

description: More than a century after their discovery, archaeologists continue to debate the purpose of structures, known as council circles, found in the Little River focus of central Kansas. Waldo Wedel ([1940a.] Rv2: Ossuary. This is the field notes for the council circle excavations at Tobias in 1940. <i>Waldo R. Wedel and Mildred Mott Wedel Papers</i>, Box 42. National Anthropological Archives, National Museum of Natural History, Smithsonian Institution, Washington, DC.) thought they were ossuaries. Later, he suggested solstice registers (Wedel [1967a] The Council Circles of Central Kansas: Were They Solstice Registers? <i>American Antiquity</i> 32:54–63.). Vehik ([2002]. Conflict, Trade, and Political Development on the Southern Plains. <i>American Antiquity</i> 67:37–64; [2022]. Ideology and Political Development: The Little River Focus Council Circles of Central Kansas. In <i>People in a Sea of Grass: Archaeology’s Changing Perspectives on Indigenous Plains Communities</i>, edited by Matthew E. Hill, and Lauren W. Ritterbush, pp. 72–97. University of Utah Press, Salt Lake City.) proposed they were ritual facilities built as part of a strategy to increase political power, wealth, and authority. Baugh and Blaine ([2017]. Enduring the Violence: Four Centuries of Kirikir’i‧s Warfare. <i>Plains Anthropologist</i> 62(242):99–132.) argued the presence of human bone indicated the facilities were fortifications. Investigated here is the distribution of human bone in council circles and other Little River focus contexts. Also explored are several test implications for their use as fortifications. Results indicate that the council circles were not fortifications, but instead reflect continued attempts to increase power and authority.
DOI: 10.6084/m9.figshare.28180577
title: Raw sanger files.zip

description: Raw sanger sequencing files
DOI: 10.25505/fiz.icsd.cc2m31ph
title: CSD 2416006: Experimental Crystal Structure Determination

description: Related Article: Shijiao Zhao/Xinbao Han|2025|ICSD Communication|||
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15468/dl.2yttkk
title: Occurrence Download

description: A dataset containing 9309 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Datura innoxia Mill."
 ]
}

 The dataset includes 9309 records from 451 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0063107-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14469/hpc/2653
title: H3(+), NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/2676
title: Fe hextet

description: Gaussian Calculation
DOI: 10.14469/hpc/2678
title: Fe doublet

description: Gaussian Calculation
DOI: 10.14469/hpc/2739
title: (bis-t-bu)ph3C-H...H-C(Ph)3, C3 symmetry Def2-TZVPP

description: Gaussian Calculation
DOI: 10.14469/hpc/2775
title: SF6

description: Gaussian Calculation
DOI: 10.14469/hpc/2838
title: CH2F2(2-) NBO

description: Gaussian Calculation
DOI: 10.14469/hpc/2861
title: NH4(-)

description: Gaussian Calculation
DOI: 10.14469/hpc/2862
title: CH3Cl(2-) NBO

description: Gaussian Calculation
DOI: 10.14469/hpc/2863
title: CH3Cl(2-) wfn

description: Gaussian Calculation
DOI: 10.14469/hpc/2888
title: Ti_Et_Cl3_dmpe NMR

description: Gaussian Calculation
DOI: 10.14469/hpc/2989
title: CH3F 2- NBO freq Def2-QZVPPD, TS for dissociation, SCF=12

description: Gaussian Calculation
DOI: 10.14469/hpc/2996
title: C2 CASSCF(12,12) 6-311G(d,p) singlet pop=NO

description: Gaussian Calculation
DOI: 10.14469/hpc/3044
title: CN. CASSCF(13,12)

description: Gaussian Calculation
DOI: 10.14469/hpc/3045
title: N2 (1+) CASSCF(13,12)

description: Gaussian Calculation
DOI: 10.14469/hpc/3105
title: (t-butyl)3PF2 freq

description: Gaussian Calculation
DOI: 10.14469/hpc/3121
title: A26.H2 =&gt; N+C-, H substituted, IRC, chloroform

description: Gaussian Calculation
DOI: 10.14469/hpc/3146
title: dyotropic protonated O, ion pair TS3 , Def2-SVPD

description: Gaussian Calculation
DOI: 10.14469/hpc/3231
title: Se(SiH3)6 Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/3234
title: PoMe6 NBO Def2-SVPD PP

description: Gaussian Calculation
DOI: 10.14469/hpc/3258
title: 5-N 5-coordinate N + freq + NMR + Wiberg NBO

description: Gaussian Calculation
DOI: 10.14469/hpc/3262
title: Lidocaine HCl + H2O, no methyl base form with HF and water rotated

description: Gaussian Calculation
DOI: 10.14469/hpc/3302
title: ClMe5 CASSCF(12,12) WFN Def2-TZVPP

description: Gaussian Calculation
DOI: 10.14469/hpc/3387
title: NSN WFN Def2-TZVPP

description: Gaussian Calculation
DOI: 10.14469/hpc/3389
title: BSB WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/3411
title: CH3F (2-)/CASSCF(12,12)/Def2-TZVPPD WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/3449
title: CrMe6, WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/2190
title: H4++ wfn tetrahedral aug-cc-pv5z CCSD(T)

description: Gaussian Calculation
DOI: 10.14469/hpc/2220
title: N8 Oh

description: Gaussian Calculation
DOI: 10.14469/hpc/2335
title: Fe oxalate, quintet

description: Gaussian Calculation
DOI: 10.14469/hpc/2413
title: Norbornyl cation scrf wB97XD

description: Gaussian Calculation
DOI: 10.14469/hpc/2481
title: KIXFOO

description: Gaussian Calculation
DOI: 10.14469/hpc/2538
title: VITGIP (doubly pi complexed CO2) wfn

description: Gaussian Calculation
DOI: 10.14469/hpc/2590
title: YUYDOL

description: Gaussian Calculation
DOI: 10.14469/hpc/2633
title: PABNAJ

description: Gaussian Calculation
DOI: 10.14469/hpc/2677
title: Fe quartet

description: Gaussian Calculation
DOI: 10.14469/hpc/2701
title: (bis-t-bu)ph3C-Cl dimer

description: Gaussian Calculation
DOI: 10.14469/hpc/2735
title: (bis-t-bu)ph3C-Cl...H-C(Ph)3

description: Gaussian Calculation
DOI: 10.14469/hpc/2736
title: (bis-t-bu)ph3C-F...H-C(Ph)3, no symmetry

description: Gaussian Calculation
DOI: 10.14469/hpc/2806
title: BH3F(3-) wfn

description: Gaussian Calculation
DOI: 10.14469/hpc/2839
title: CH2F2(2-) wfn

description: Gaussian Calculation
DOI: 10.14469/hpc/2860
title: NH4(-)

description: Gaussian Calculation
DOI: 10.14469/hpc/2889
title: Ti_Et_Cl3_dmpe NMR wfn

description: Gaussian Calculation
DOI: 10.14469/hpc/2895
title: Ti complex with B

description: Gaussian Calculation
DOI: 10.14469/hpc/2942
title: cH3F(1-) wfn freq

description: Gaussian Calculation
DOI: 10.14469/hpc/2966
title: CH3F(2-) nstates=100

description: Gaussian Calculation
DOI: 10.14469/hpc/3008
title: OF4 Td

description: Gaussian Calculation
DOI: 10.14469/hpc/3036
title: c2 CASSCF(13,12) radical anion

description: Gaussian Calculation
DOI: 10.14469/hpc/3043
title: CO (2+) CASSCF(12,12)

description: Gaussian Calculation
DOI: 10.14469/hpc/3072
title: Be2 2+

description: Gaussian Calculation
DOI: 10.14469/hpc/3085
title: C2 (2+) excited singlet with ultra-short CC bond

description: Gaussian Calculation
DOI: 10.14469/hpc/3094
title: Ca2 (2-) Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/3135
title: TBUCBD01 triplet

description: Gaussian Calculation
DOI: 10.14469/hpc/3147
title: dyotropic protonated O, ion pair TS3 , Def2-SVPD, CH2 =&gt; O

description: Gaussian Calculation
DOI: 10.14469/hpc/3167
title: I. I7, D5h, Def2-QZVPPD, B3LYP

description: Gaussian Calculation
DOI: 10.14469/hpc/3202
title: UWOHUK

description: Gaussian Calculation
DOI: 10.14469/hpc/3205
title: Lidocaine HCl + H2O, ionic form

description: Gaussian Calculation
DOI: 10.14469/hpc/3216
title: Lidocaine HCl + H2O, ionic form with methyl groups removed -1189.958093

description: Gaussian Calculation
DOI: 10.14469/hpc/3219
title: SeMe6 wfn

description: Gaussian Calculation
DOI: 10.14469/hpc/3220
title: SeMe6 Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/3229
title: Lidocaine HCl + H2O, ionic form, NH...Cl...HN, iso water, -1268.548567

description: Gaussian Calculation
DOI: 10.14469/hpc/3244
title: Lidocaine HCl + H2O, base form with methyl groups removed, -1189.942124

description: Gaussian Calculation
DOI: 10.14469/hpc/3259
title: Hexacoordinate carbon as dication, Wiberg bond index = 3.9588

description: Gaussian Calculation
DOI: 10.14469/hpc/3269
title: ClMe3 (2+) Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/3275
title: HF (2-)

description: Gaussian Calculation
DOI: 10.14469/hpc/3276
title: ClMe5 (2+) WFN C3h Def2-TZVPP

description: Gaussian Calculation
DOI: 10.14469/hpc/3294
title: F2, Def2-TZVPPD, WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/3383
title: Li22- triplet Def2-TZVPPD WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/3469
title: Hexamethyl tungsten Def2-TZVPPD WFX

description: Gaussian Calculation
DOI: 10.14469/hpc/3474
title: TeH4. Def2-QZVPPD, NBO

description: Gaussian Calculation
DOI: 10.14469/hpc/3567
title: CMe3F(1-) Def2-TZVPPD, WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/3729
title: NH4(+) Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/4003
title: Superbase, anti -593.709454

description: Gaussian Calculation
DOI: 10.14469/hpc/4059
title: super superbase NMR VCD

description: Gaussian Calculation
DOI: 10.14469/hpc/4543
title: Methane, test for Gibbs energy, pqchem

description: Gaussian Calculation
DOI: 10.14469/hpc/4547
title: Methane, test for Gibbs energy, ax4

description: Gaussian Calculation
DOI: 10.14469/hpc/4601
title: The White City TS, isomer 1, acid as PT agent with passive amine -649.894536642

description: Gaussian Calculation
DOI: 10.14469/hpc/4676
title: OC: 4a def2-tzvpp, aldehyde, NO2 conformer -910.859908 n-heptyl nstates=150

description: Gaussian Calculation
DOI: 10.14469/hpc/7099
title: I24 (-12) PM7 + water, optimized

description: Gaussian Calculation
DOI: 10.14469/hpc/2229
title: C4 D2h

description: Gaussian Calculation
DOI: 10.14469/hpc/2241
title: Cyclobutadiene quintet for Kekule mode

description: Gaussian Calculation
DOI: 10.14469/hpc/2293
title: The inversion of fluoromethane, IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/2593
title: XONHIS wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/2698
title: TMS Def2-TZVPP b3lyp

description: Gaussian Calculation
DOI: 10.14469/hpc/2699
title: 10.1021/jacs.7b01879 reporting H...H contact Def2-TZVP

description: Gaussian Calculation
DOI: 10.14469/hpc/2842
title: I8 wfx

description: Gaussian Calculation
DOI: 10.14469/hpc/2893
title: Ti complex with Si

description: Gaussian Calculation
DOI: 10.14469/hpc/2967
title: CH3F(2-) nstates=100 TPSSh

description: Gaussian Calculation
DOI: 10.14469/hpc/2972
title: CH3F neutral

description: Gaussian Calculation
DOI: 10.14469/hpc/2984
title: CH3F 2- NBO freq Def2-QZVPPD

description: Gaussian Calculation
DOI: 10.14469/hpc/3042
title: CN(+) CASSCF(12,12)

description: Gaussian Calculation
DOI: 10.14469/hpc/3071
title: Be2 2+

description: Gaussian Calculation
DOI: 10.14469/hpc/3084
title: B2 Excited singlet exhibiting triple BB bond.

description: Gaussian Calculation
DOI: 10.14469/hpc/3086
title: Li2 (2-) triplet wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/3168
title: I.I5 D3h symmetry, Def2-QZVPPD

description: Gaussian Calculation
DOI: 10.14469/hpc/3169
title: I.I3 C2v symmetry, Def2-QZVPPD

description: Gaussian Calculation
DOI: 10.14469/hpc/3171
title: I.I1, Def2-QZVPPD

description: Gaussian Calculation
DOI: 10.14469/hpc/3208
title: Lidocaine HCl + H2O, ionic form, iso1

description: Gaussian Calculation
DOI: 10.14469/hpc/3209
title: Lidocaine HCl + H2O, base form with methyl groups removed -1189.937957

description: Gaussian Calculation
DOI: 10.14469/hpc/3215
title: Lidocaine HCl + H2O, ionic form, NH...Cl...HN -1268.549801

description: Gaussian Calculation
DOI: 10.14469/hpc/3223
title: SeMe5(SiH3)1 Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/3228
title: SeMe(SiH3)5 Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/3230
title: Lidocaine HCl + H2O, ionic form with methyl groups removed, NH...Cl...HN, iso water, -1189.958634

description: Gaussian Calculation
DOI: 10.14469/hpc/3232
title: Se(SiH3)6 WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/3260
title: Hexacoordinate silicon as dication, Wiberg bond index = 3.2475

description: Gaussian Calculation
DOI: 10.14469/hpc/3263
title: Lidocaine HCl + H2O, base form with HF and water rotated

description: Gaussian Calculation
DOI: 10.14469/hpc/3264
title: Lidocaine HCl + H2O, no methyl ionic form with HF

description: Gaussian Calculation
DOI: 10.14469/hpc/3267
title: Lidocaine HCl + H2O, ionic form with HF

description: Gaussian Calculation
DOI: 10.14469/hpc/3295
title: F2 CASSCF(10,10) pop=NO WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/3298
title: ClMe3 CASSCF(6,6) WFN Def2-TZVPP

description: Gaussian Calculation
DOI: 10.14469/hpc/3311
title: F2, Def2-TZVPPD, WFN, does water increase the charge separation?

description: Gaussian Calculation
DOI: 10.14469/hpc/3414
title: NAYWOZ wfn

description: Gaussian Calculation
DOI: 10.14469/hpc/3472
title: SH4. Def2-QZVPPD, NBO

description: Gaussian Calculation
DOI: 10.14469/hpc/3473
title: SeH4. Def2-QZVPPD, NBO

description: Gaussian Calculation
DOI: 10.14469/hpc/3486
title: Ozone, Def2-TZVPP WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/3566
title: CMe3F(1-) Def2-TZVPPD NBO, Rydberg 0.80038, H BI 1.045 F 0.8859

description: Gaussian Calculation
DOI: 10.14469/hpc/3585
title: CMe3F(2-) Def2-TZVPPD IRC for C-F dissociation

description: Gaussian Calculation
DOI: 10.14469/hpc/3595
title: Ne atom

description: Gaussian Calculation
DOI: 10.14469/hpc/4603
title: The White City TS, isomer 4, acid as PT agent with passive amine -649.893639083

description: Gaussian Calculation
DOI: 10.14469/hpc/4620
title: OC: 4a NMR FREQ

description: Gaussian Calculation
DOI: 10.14469/hpc/4626
title: OC: Reactant , Me (trans to aldehyde) -1584.123635

description: Gaussian Calculation
DOI: 10.14469/hpc/4631
title: OC: TI1 -1544.804799

description: Gaussian Calculation
DOI: 10.14469/hpc/4636
title: OC: TS2 C-Cl cleavage to form carbene -1544.734507

description: Gaussian Calculation
DOI: 10.14469/hpc/4654
title: OC: 4a NMR(spinspin,mixed) def2-tzvpp

description: Gaussian Calculation
DOI: 10.14469/hpc/4664
title: OC: TS3, C-C bond formation with di-isopropyl amine present Cl-S,R, =C-Cl isomer 1 -1876.459369 = 17.5

description: Gaussian Calculation
DOI: 10.14469/hpc/4716
title: Fluoridation, TS using O 6-311_G(d,p) -1566.740543 =23.0

description: Gaussian Calculation
DOI: 10.14469/hpc/4727
title: OC: TS3, C-C bond formation, no di-isopropyl amine present Cl-S,R-S-prolinol =C-Cl -2861.847837 =&gt; 1R2S3S freq

description: Gaussian Calculation
DOI: 10.14469/hpc/4929
title: TBUCBD01 CBD itself, D2h 2d Def2-TZVPP triplet uhf -154.653397

description: Gaussian Calculation
DOI: 10.14469/hpc/5338
title: 6-rule acetic acid + methanol reactant, -550.064964

description: Gaussian Calculation
DOI: 10.14469/hpc/7100
title: I24 M062X/Def2-TZVPPD+PP + water, constrained to 74.1

description: Gaussian Calculation
DOI: 10.14469/hpc/7168
title: CH3-I CCSD(T)/Def2-TZVPP E = =-336.9753927 sum = -412.7600114 G = -336.963399 Sum = -412.762121

description: Gaussian Calculation
DOI: 10.14469/hpc/7273
title: Willgerodt Int2 G = -994.459625

description: Gaussian Calculation
DOI: 10.14469/hpc/8310
title: Ar2S-CC-OPh 1,1 G = -1242.955887

description: Gaussian Calculation
DOI: 10.14469/hpc/8313
title: Py-CC-OPh 1,2-dimerisation, Def2-TZVPPD, SCRF=DCM, G = -631.024907 =&gt; -631.024878

description: Gaussian Calculation
DOI: 10.14469/hpc/2805
title: BH3F(3-)

description: Gaussian Calculation
DOI: 10.14469/hpc/3041
title: N2 (2+) CASSCF(12,12)

description: Gaussian Calculation
DOI: 10.14469/hpc/3119
title: (t-butyl)3PF2 TS for F2 elimination

description: Gaussian Calculation
DOI: 10.14469/hpc/3173
title: dyotropic protonated O, ion pair reactant , Def2-SVPD

description: Gaussian Calculation
DOI: 10.14469/hpc/3214
title: Lidocaine HCl + H2O, base form

description: Gaussian Calculation
DOI: 10.14469/hpc/3225
title: SeMe3(SiH3)3 Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/3243
title: FMe3 Wiberg as a TS?

description: Gaussian Calculation
DOI: 10.14469/hpc/3246
title: ClF3 wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/3257
title: ClMe5 WFN 6-311++(2d,2p) WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/3265
title: NH4 radical, + water solvent

description: Gaussian Calculation
DOI: 10.14469/hpc/3266
title: Lidocaine HCl + H2O, base form -1268.534072

description: Gaussian Calculation
DOI: 10.14469/hpc/3278
title: xClMe3 WFN, 6-311++G(3d,3p)

description: Gaussian Calculation
DOI: 10.14469/hpc/3297
title: ClMe3 CASSCF(12,12) WFN Def2-TZVPP

description: Gaussian Calculation
DOI: 10.14469/hpc/3300
title: ClF3 Def2-TZVPP WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/3408
title: OH4 neutral

description: Gaussian Calculation
DOI: 10.14469/hpc/3415
title: H3S-F, neutral Def2-TZVPP no water NBO

description: Gaussian Calculation
DOI: 10.14469/hpc/3468
title: Hexamethyl tungsten Def2-TZVPPD WFX

description: Gaussian Calculation
DOI: 10.14469/hpc/3571
title: 2,2-dimethyl-1-(2,2,5,5,6-pentakis(2,4,6-triisopropylphenyl)tetracyclo[2.2.0.01,3.03,6]hexasilan-4-yl)propan-1-one

description: test
DOI: 10.14469/hpc/4004
title: Superbase, syn -593.712592

description: Gaussian Calculation
DOI: 10.14469/hpc/4168
title: test of script

description: Gaussian Calculation