cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14469/hpc/11357
title: 1574 =&gt; BOB cycle, 2,6-OH-Ph-B and benzoic acid, GS@wB97XD, extra acid and amine removed, G = -1825.397953

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11378
title: BOB cycle, o-H-Ph-B and o-Cl-benzoic acid, GS@wB97XD, extra acid and two amines removed, C2 symmetry, G = -2347.848392

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11386
title: BOB cycle, o-H-Ph-B and benzoic acid, GS@B3LYP+GD3BJ, with amine separate C2 symmetry -1429.248373 + -95.87154 = -1,525.119913

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11411
title: 10.14469/hpc/10527 =&gt; two amine + acid as their own supercluster, G = -612.691509

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11453
title: TS4 for C-O break, rotamer6, Def2-SVPP, B-Ph instead of B-OMe, o-Cl-benzoic instead of acetic acid, G =-2226.344159, DG = 35.0

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11351
title: BOB cycle, o-H-Ph-B and benzoic acid, GS@B3LYP+GDsBJ, with amine separate G -1429.248711 + -95.871542 = -1,525.120253 , (-1525.112929 original) DG = 4.6

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11379
title: BOB cycle, o-H-Ph-B and benzoic acid, GS@wB97XD removed from MeNH2, G = 30.6

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11383
title: 1657 =&gt; BOB cycle, 2,6-di-iPr-Ph-B and benzoic acid, GS@wB97XD, extra acid and two amines removed, C2 symmetry, G = -1900.097261

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11412
title: 1657 =&gt; BOB cycle, 2,6-di-iPr-Ph-B and benzoic acid, GS@b3lyp+GD3+BJ, extra acid and two amines removed, G = -1900.929615

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10424
title: MEPHPY01 B3LYP+GD3BJ. Def2-SVPP, TS for PT saddle=4 G = -1984.428923

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10527
title: BOB cycle, o-H-Ph-B and benzoic acid, GS@B3LYP+GDsBJ, G = -2041.931468

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11413
title: 10.14469/hpc/10527 =&gt; acid on its own = ½ dimer G = -420.950855

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11415
title: 10.14469/hpc/10527 =&gt; two amine + acid as their own supercluster, wB97XD/Def2-TZVPP, G= -612.431622

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11449
title: 1574 =&gt; BOB cycle, 2,6-OH-Ph-B and benzoic acid, GS@wB97XD, extra acid and two amine removed, C2-symmetry, G = -1825.397953 =&gt; -1729.570842

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10361
title: RAKQOJ, B3LYP+GD3+BJ/Def2-TZVPP, dibutylether , OHN = 1.4913/1.0827 ==&gt; 1.37774/1.13017

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10550
title: BOB cycle, 2,6-di-Cl-Ph-B and phenylbenzoic acid, TS4, wB97XD, G =-3879.485971

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11414
title: 10.14469/hpc/10527 =&gt; acid on its own (not dimer), G = -420.948614

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11424
title: 10.14469/hpc/10527 =&gt; acid on its own = ½ dimer, wB97XD, G = -420.772982

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11432
title: Start point from alex for C-O break, Def2-TSPP, conformer 1, B-2,6-diipr-Ph instead of B-OMe NMe rotamer, G = -1159.845894

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10364
title: RAKQOJ, B3LYP+GD3+BJ/Def2-TZVPP, carbon disulfide, OHN 1.0192/1.6322

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10374
title: MEPHPY01 LC-wHPBE, Def2-TZVPP, two sym, two asym, 2-ve frequencies

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10380
title: RAKQOJ, B3LYP+GD3+BJ/Def2-TZVPP, chloroform , TS

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10388
title: BF3.OEt2 in pyridine. B3LYP+D3BJ/aug-cc-pvdz, B Isotropic = 107.8842

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11433
title: 0.14469/hpc/10527 =&gt; acid on its own (not dimer), wB97XD, G = -420.771695

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11450
title: Start point from alex for C-O break, Def2-TSPP, conformer 1, B-Ph instead of B-OMe, o-Cl-benzoic acid instead of acetic, G = -2226.399995

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11695
title: o-Cl-Phenylmethoxylborate, B3LYP+GD3+BJ/Def2-SVPP, G = -906.622165

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11701
title: H2S, B3LYP+GD3+BJ/Def2-SVPP,

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11675
title: Water, B3LYP+GD3+BJ/Def2-SVPP, G = -76.344273

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11688
title: TS3 C-O break, rotamer6, Def2-SVPP, using B-Ph, benzylamine and benzoic acid, G = -1538.223218

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11699
title: Species 3, B3LYP+GD3+BJ/Def2-SVPP, G = -1453.746499

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11698
title: Thiomethanol, B3LYP+GD3+BJ/Def2-SVPP, G = -438.536405

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11669
title: Acetic acid as dimer B3LYP+GD3+BJ/Dev2-svpp G = -457.773537

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11689
title: N-Benzylbenzamide+benzoic acid complex, B3LYP+GD3+BJ/Def2-SVPP, G = -1091.133606

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11702
title: Start point 3 for C-O break, alt- B-o-Cl-Ph, Benzoic acid/benzylamine, G = -1997.759884 =&gt; rotamer G = -1997.758097

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11703
title: TS3 C-O break, Def2-SVPP, using B-Ph, benzylamine and benzoic acid, G = -1538.223780

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11704
title: TS3 C-O break, Def2-SVPP, using B-o-Cl-Ph, benzylamine and benzoic acid, rotamer G = -1997.714351

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11671
title: Trimethylborate, B3LYP+GD3+BJ/Def2-SVPP, G = -370.018867

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11673
title: N-Methylacetamine+acetic acid complex, B3LYP+GD3+BJ/Def2-SVPP G = -477.162229

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11690
title: Start point 3 for C-O break, alt- B-Ph, Benzoic acid/benzylamine, G = -1538.274613

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11692
title: Start point 3 for C-O break, B-Ph, Benzoic acid/benzylamine, G = -1538.272346

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11705
title: TS3 C-O break, Def2-SVPP, using B-o-Cl-Ph, benzylamine and benzoic acid, G = -1997.712553

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11674
title: Dimethoxylborate, B3LYP+GD3+BJ/Def2-SVPP, G = -330.765614

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11684
title: TS3 C-O break, rotamer6, Def2-SVPP, using benzylamine and benzoic acid, G = -1421.857212, DG = 25.9

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11685
title: Start point 3 for C-O break, G = -807.915918 =&gt; rotamer G = -807.921627 =&gt; Benzoic acid/benzylamine rotamer, G =-1421.898538

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11686
title: Dimethoxylphenylborate, B3LYP+GD3+BJ/Def2-SVPP, G = -486.388498

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11672
title: Methanol, B3LYP+GD3+BJ/Def2-SVPP, G = -115.595223

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11681
title: Benzylamine, B3LYP+GD3+BJ/Def2-SVPP, rotamer, G = -326.568037

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11683
title: Start point 3 for C-O break, G = -807.915918 =&gt; rotamer G = -807.921627 =&gt; Benzoic acid/benzylamine, G = -1421.898531

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11687
title: Phenylmethoxylborate, B3LYP+GD3+BJ/Def2-SVPP, G = -447.140822

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11706
title: TS3 C-O break, Def2-SVPP, using B-Ph, benzylamine and benzoic acid, rotamer G = -1538.22378 ==&gt; -1538.223791

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11670
title: Methylamine, B3LYP+GD3+BJ/Def2-SVPP, G = -95.735176

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11677
title: N-Methylacetamide dimer. B3LYP+GDs+BJ/Def2-SVPP, G = -496.546874

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11680
title: Benzoic acid dimer. B3LYP+GD3+BJ/Def2-SVPP, G =-840.915833

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11715
title: Start point 3 for C-O break, alt- B-2,6-diipr-Ph, Benzoic acid/benzylamine, G = -1773.828284

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11696
title: Trithiomethoxylborate, B3LYP+GD3+BJ/Def2-SVPP, G = -1338.751596

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11682
title: N-Benzylbenzamide dimer. B3LYP+GDs+BJ/Def2-SVPP, G = -1341.351187

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11693
title: Dimethoxyl-o-Cl-phenylborate, B3LYP+GD3+BJ/Def2-SVPP, G = -945.875865

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11679
title: Benzylamine, B3LYP+GD3+BJ/Def2-SVPP, G = -326.568672

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11717
title: Dimethoxyl-2,6-iPr-phenylborate, B3LYP+GD3+BJ/Def2-SVPP, G = -721.957232

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11694
title: Start point 3 for C-O break, alt- B-o-Cl-Ph, Benzoic acid/benzylamine, G = -1997.759884

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11697
title: Dithiomethoxyborate, B3LYP+GD3+BJ/Def2-SVPP, G = -1299.494985

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11718
title: 2,6-iPr-Phenylmethoxylborate, B3LYP+GD3+BJ/Def2-SVPP, G = -682.703257

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11719
title: TS3 C-O break, Def2-SVPP, using B-2,6-diipr-Ph, benzylamine and benzoic acid, G = -1773.791940

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11720
title: Start point 3 for C-O break, alt- B-o-Cl-Ph, Benzoic acid/benzylamine, Def-SVPP, G = -1997.759884 =&gt; new H-bond G = -1997.765884

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11721
title: Start point 3 for C-O break, G = -807.921627 =&gt; alt-H-bond G = -807.929458

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11722
title: Start point 3 for C-O break, alt- B-Ph, Benzoic acid/benzylamine, G = -1538.274613 =&gt; alt H-bond G = -1538.280574

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11723
title: Start point 3 for C-O break, Benzoic acid/benzylamine rotamer, G =-1421.898538, alt-H-bond =&gt; -1421.905551

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11728
title: Start point 3 for C-O break, pinned-back-2,6-diiPr-B-Ph, Benzoic acid/benzylamine, G = -1733.426619

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11729
title: Dimethoxylphenylborate, =&gt; new pinned back design! G = -681.530900

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11730
title: Methoxy-2,6-di-OH-Phenyl borate, G = -597.467614

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11731
title: TS3 C-O break, Def2-SVPP, using B-2,6-OH-Ph, benzylamine and benzoic acid, G = -1688.559831, DG = 31.9

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11750
title: TS3 C-O break, Def2-SVPP, using pinned-back-Ph, benzylamine and benzoic acid, G = -1733.361130, DG = 41.1

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11751
title: Start point 3 for C-O break, B3LYP+GD3+BJ/Def2-SVPP 2,6-OH-B-Ph, Benzoic acid/benzylamine, G = -1688.610726

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11752
title: Dimethoxyl-2,6-di-OH-phenylborate, B3LYP+GD3+BJ/Def2-SVPP, G =-636.717911

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11753
title: F-t-butanol, B3LYP+GD3+BJ/Def2-SVPP, G = -1125.968002

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11754
title: tris(fluoro-t-butyl)borate, tris(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl) borate, G = -3401.105365

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11755
title: start point 3 using tris(fluoro-t-butyl)borate, G = -3442.638824

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11756
title: BOB cycle, o-Cl-Ph-B and benzoic acid, GS@wB97XD, Def2-SVPP, start point for TS, G = -1926.721995

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11758
title: BOB cycle, o-Cl-Ph-B and benzoic acid, TS4 @wB97XD, Def2-SVPP, benzylamine, G =-2672.374144

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11759
title: BOB cycle, o-Cl-Ph-B and benzoic acid, GS@B3LYP+GD3+BJ, C2 symmetry, tricycle intermediate, Def2-SVPP, G = -2346.608192

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11760
title: BOB cycle, o-Cl-Ph-B and benzoic acid, GS@wB97XD, C2 symmetry, tricycle intermediate, Def2-SVPP, G = -2345.977240

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11761
title: BOB cycle, o-Cl-Ph-B and benzoic acid, GS@B3LYP+GDs+BJ, Def2-SVPP, bicycle intermediate, protonated on bridging O, G = -2157.338512

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11762
title: The world ash tree of the computer hardware industry… crystalline silicon from 1854.
DOI: 10.14469/hpc/11766
title: Int 4 in Two-B mechanism, analogous to the single-B mechanism, G = -2368.330323

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11767
title: BOB cycle, o-Cl-Ph-B and benzoic acid, GS@B3LYP+GDs+BJ, Def2-SVPP, bicycle intermediate, protonated on methoxy, G = -2157.346654

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11763
title: Videos to supplement Chapter 3

description: All the videos mentioned in Chapter 3 of the PhD thesis titled 'Numerical Modelling of Magma Reservoir Processes' by Catherine Booth.
DOI: 10.14469/hpc/11764
title: Videos to supplement Chapter 4

description: All the videos mentioned in Chapter 4 of the PhD thesis titled 'Numerical Modelling of Magma Reservoir Processes' by Catherine Booth
DOI: 10.14469/hpc/11765
title: Videos to supplement Chapter 5

description: All the videos mentioned in Chapter 5 of the PhD thesis titled 'Numerical Modelling of Magma Reservoir Processes' by Catherine Booth.
DOI: 10.14469/hpc/11770
title: TS3 C-O break, Def2-SVPP, using B-p-CN-Ph, benzylamine and benzoic acid, G = -1630.411959 DG = 36.3

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11772
title: Start point 3 for C-O break, B-p-CN-Ph, Benzoic acid/benzylamine, Def-SVPP, G = -1630.469844

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11773
title: TS3 using tris(fluoro-t-butyl)borate, B3LYP+GD+BJ/Def2=SVPP, G = -3442.584902

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11774
title: Start point 3 for C-O break, B-p-NMe2-Ph, Benzoic acid/benzylamine, Def-SVPP, G = -1672.090624

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11775
title: TS3 C-O break, Def2-SVPP, using B-p-NMe2-Ph, benzylamine and benzoic acid, G = -1672.033577 DG = 35.8

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11776
title: TS3 using tris(fluoro-t-butyl)borate, B3LYP+GD+BJ/Def2=SVPP, G = -3442.587169

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11777
title: TS4, o-Cl-Ph-B two boron new TS G = -2788.736097

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11778
title: Int 4 in Two-BB-p-NMe2Ph mechanism, analogous to the single-B-p-NMe2Ph mechanism, G = -1716.980003

description: Gaussian 16 (C01) calculation
DOI: 10.3886/icpsr38646.v2
title: Collaborative Research: Summer Training Program to Broaden Participation in Graduate Education in Economics, United States, 2016-2020
title: Version 2

description: Since 1974, the American Economic Association Summer Training Program (AEASP) has been preparing talented undergraduates from all over the country for doctoral programs in Economics and related disciplines with the goal of broadening diversity in the profession. AEASP is a program that enables students to develop and solidify technical skills in preparation for the rigors of graduate studies. As many as 20% of PhDs awarded to minorities in economics over the past 20 years are graduates of the program. The American Economic Association Summer Training Program (AEASP) was hosted by Michigan State University from 2016 to 2020. Over the course of the five years, the program collected data on program applicants, accepted students, program and course evaluations, and post-program follow-up surveys with program alumni.
description: Over the course of the five years, the program collected data on program applicants, accepted students, program and course evaluations, and post-program follow-up surveys with program alumni.
description: This study contains four categories of datasets: application, course evaluation, exit interview, and phone interview data. Variables in the application datasets include information about participant's academic and family history, and demographics. Variables in the course evaluation datasets include information about participant's opinions of the courses in the AEASP program. Exit interview datasets include information about participant's post-program plans and a program review.
description: Datasets: DS0: Study-Level Files DS1: Application Data 2016 DS2: Application Data 2017 DS3: Application Data 2018 DS4: Application Data 2019 DS5: Application Data 2020 DS6: Course Evaluation Data 2016 DS7: Course Evaluation Data 2017 DS8: Course Evaluation Data 2018 DS9: Course Evaluation Data 2019 DS10: Course Evaluation Data 2020 DS11: Exit Interview Data 2017 DS12: Exit Interview Data 2018 DS13: Exit Interview Data 2019 DS14: Exit Interview Data 2020 DS15: Phone Interview Data 2016 DS16: Phone Interview Data 2017 DS17: Phone Interview Data 2018
description: College students who attended the American Economic Association Summer Training Program any time from 2016-2020. Smallest Geographic Unit: Country
description: telephone interview
DOI: 10.14469/hpc/11779
title: Dimethoxyl-o-Cl-phenylborate, B3LYP+GD3+BJ/Def2-SVPP, G = -945.875865 rotamer =&gt; -945.875859

description: Gaussian 16 (C01) calculation
DOI: 10.3886/icpsr38646
title: Collaborative Research: Summer Training Program to Broaden Participation in Graduate Education in Economics, United States, 2016-2020
title: Archival Version

description: Since 1974, the American Economic Association Summer Training Program (AEASP) has been preparing talented undergraduates from all over the country for doctoral programs in Economics and related disciplines with the goal of broadening diversity in the profession. AEASP is a program that enables students to develop and solidify technical skills in preparation for the rigors of graduate studies. As many as 20% of PhDs awarded to minorities in economics over the past 20 years are graduates of the program. The American Economic Association Summer Training Program (AEASP) was hosted by Michigan State University from 2016 to 2020. Over the course of the five years, the program collected data on program applicants, accepted students, program and course evaluations, and post-program follow-up surveys with program alumni.
description: Over the course of the five years, the program collected data on program applicants, accepted students, program and course evaluations, and post-program follow-up surveys with program alumni.
description: This study contains four categories of datasets: application, course evaluation, exit interview, and phone interview data. Variables in the application datasets include information about participant's academic and family history, and demographics. Variables in the course evaluation datasets include information about participant's opinions of the courses in the AEASP program. Exit interview datasets include information about participant's post-program plans and a program review.
description: Datasets: DS0: Study-Level Files DS1: Application Data 2016 DS2: Application Data 2017 DS3: Application Data 2018 DS4: Application Data 2019 DS5: Application Data 2020 DS6: Course Evaluation Data 2016 DS7: Course Evaluation Data 2017 DS8: Course Evaluation Data 2018 DS9: Course Evaluation Data 2019 DS10: Course Evaluation Data 2020 DS11: Exit Interview Data 2017 DS12: Exit Interview Data 2018 DS13: Exit Interview Data 2019 DS14: Exit Interview Data 2020 DS15: Phone Interview Data 2016 DS16: Phone Interview Data 2017 DS17: Phone Interview Data 2018
description: College students who attended the American Economic Association Summer Training Program any time from 2016-2020. Smallest Geographic Unit: Country
description: telephone interview
DOI: 10.14469/hpc/11780
title: Non-covalent-interactions isosurface (colour code: blue = stabilizing, green weak, orange destabilizing)
DOI: 10.14469/hpc/11832
title: IR Data for Compound 8.

description: IR spectrum for ethyl 2-(4-methoxybenzyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
DOI: 10.14469/hpc/11868
title: TI4 o-Cl-Ph-B two boron G = -2788.768493

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11869
title: TS5, (MeO)3B, two boron, G = -1637.030804

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11870
title: Dimethoxyl-p-NMe2-phenylborate, B3LYP+GD3+BJ/Def2-SVPP, G = -620.200337

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11871
title: Dimethoxyl-p-CN-phenylborate, B3LYP+GD3+BJ/Def2-SVPP, G = -578.575079

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11872
title: TS5, (MeO)3B, two boron, G = -1637.030804 =&gt; Rotamer -1637.029622

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11873
title: TS5, o-Cl-Ph-B two boron new TS new aryl rotamers G =-2788.745343, IRC

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11874
title: Int 4 in Two-p-Me2N-Ph-B mechanism, analogous to the single-B mechanism, G = -1716.980002

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11875
title: Int 4 in Two-p-CN-Ph-B mechanism, analogous to the single-B mechanism, G = -1633.739565

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11876
title: TS5, o-Cl-Ph-B two boron new TS new aryl rotamers, G = -2788.744551

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11877
title: TS5, o-Cl-Ph-B two boron new TS new aryl rotamers G =-2788.745343

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11878
title: TS3 using tris(fluoro-t-butyl)borate, B3LYP+GD+BJ/Def2=SVPP, G = -3442.587169 IRC

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11879
title: TS4, p-NMe2-Ph-B, G = -2137.392910

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11881
title: Test

description: Test
DOI: 10.14469/hpc/11885
title: Benzoic acid + benzylamine as complex supermolecule, B3LYP+GD3+BJ/Def2-SVPP, DCM, G = -747.031721

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11886
title: Int 4 in Two-p-CN-Ph-B mechanism + PhCO2H as supermolecule (vs -2,400.983151 for isolated acid) for KIE, G = -2054.203607

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11887
title: 7: o-Cl-Ph-B two boron G = -2788.768493 + second benzylamine on B, G = -3115.349544

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11888
title: acetic acid + methylamine as complex supermolecule, B3LYP+GD3+BJ/Def2-SVPP, DCM, G = -363.889140

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11890
title: Methylamine , CCSD(T)/Def2-SVPP, DCM, G = -134.535490, Sum G = -362.780261 (Supermolecule -362.785916, DG = 3.5)

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11891
title: acetic acid , CCSD(T)/Def2-SVPP, DCM, G = -228.244771, Sum G = -362.780261 (Supermolecule -362.785916, DG = -3.5)

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11892
title: Methylamine , CCSD/Def2-SVPP, DCM, G = -134.523919, Total G = -362.750123

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11893
title: acetic acid , CCSD/Def2-SVPP, DCM, G = -228.226204 Total G = -362.750123

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11894
title: Two amine, one boron TS, Cl rotamer, G = -2324.291290 (without methanol)

description: Gaussian 16 (C01) calculation