cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.765405.v1
title: 3.5-Ethanoproline - M062X/6-31G(d) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765406
title: 3.5-Ethanoproline - M062X/6-31G(d) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765407.v1
title: 3,5-Ethanoproline - M062X/6-311G(d,p) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765403
title: 3.5-Ethanoproline - M062X/6-311G(d,p) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765406.v1
title: 3.5-Ethanoproline - M062X/6-31G(d) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765382
title: 3,5-Ethanoproline - wB97XD/6-31G(d) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765383
title: 3.5-Ethanoproline - M062X/6-311G(d,p) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765384
title: 3.5-Ethanoproline - M062X/6-311G(d,p) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765403.v1
title: 3.5-Ethanoproline - M062X/6-311G(d,p) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765382.v1
title: 3,5-Ethanoproline - wB97XD/6-31G(d) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765383.v1
title: 3.5-Ethanoproline - M062X/6-311G(d,p) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765404.v1
title: 3.5-Ethanoproline - M062X/6-31G(d) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765377
title: 3,5-Ethanoproline - wB97XD/6-311G(d,p) - DMSO - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765378
title: 3,5-Ethanoproline - wB97XD/6-311G(d,p) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765381
title: 3,5-Ethanoproline - wB97XD/6-31G(d) - DMSO - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765384.v1
title: 3.5-Ethanoproline - M062X/6-311G(d,p) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765376
title: 3,5-Ethanoproline - wB97XD/6-311G(d,p) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765378.v1
title: 3,5-Ethanoproline - wB97XD/6-311G(d,p) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765379
title: 3,5-Ethanoproline - wB97XD/6-31G(d) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765381.v1
title: 3,5-Ethanoproline - wB97XD/6-31G(d) - DMSO - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765375
title: 3,5-Ethanoproline - wB97XD/6-31G(d) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765376.v1
title: 3,5-Ethanoproline - wB97XD/6-311G(d,p) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765377.v1
title: 3,5-Ethanoproline - wB97XD/6-311G(d,p) - DMSO - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765379.v1
title: 3,5-Ethanoproline - wB97XD/6-31G(d) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765370
title: 3,5-Ethanoproline - wB97XD/6-311G(d,p) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765372
title: 3,5-Ethanoproline - wB97XD/6-311G(d,p) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765373
title: 3,5-Ethanoproline - wB97XD/6-31G(d) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765374
title: 3,5-Ethanoproline - wB97XD/6-31G(d) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765375.v1
title: 3,5-Ethanoproline - wB97XD/6-31G(d) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765372.v1
title: 3,5-Ethanoproline - wB97XD/6-311G(d,p) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765373.v1
title: 3,5-Ethanoproline - wB97XD/6-31G(d) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765374.v1
title: 3,5-Ethanoproline - wB97XD/6-31G(d) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765315
title: 3,5-Ethanoproline - B3LYP/6-311G(d,p) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765368
title: 3,5-Ethanoproline - wB97XD/6-311G(d,p) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765370.v1
title: 3,5-Ethanoproline - wB97XD/6-311G(d,p) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765313
title: 3,5-Ethanoproline - B3LYP/6-311G(d,p) - DMSO - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765313.v1
title: 3,5-Ethanoproline - B3LYP/6-311G(d,p) - DMSO - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765368.v1
title: 3,5-Ethanoproline - wB97XD/6-311G(d,p) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765310
title: 3,5-Ethanoproline - B3LYP/6-31G(d) - DMSO - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765311
title: 3,5-Ethanoproline - B3LYP/6-31G(d) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765312
title: 3,5-Ethanoproline - B3LYP/6-311G(d,p) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765315.v1
title: 3,5-Ethanoproline - B3LYP/6-311G(d,p) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765310.v1
title: 3,5-Ethanoproline - B3LYP/6-31G(d) - DMSO - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765311.v1
title: 3,5-Ethanoproline - B3LYP/6-31G(d) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765312.v1
title: 3,5-Ethanoproline - B3LYP/6-311G(d,p) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765304
title: 3,5-Ethanoproline - B3LYP/6-31G(d) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765305
title: 3,5-Ethanoproline - B3LYP/6-311G(d,p) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765307
title: 3,5-Ethanoproline - B3LYP/6-311G(d,p) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765309
title: 3,5-Ethanoproline - B3LYP/6-31G(d) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765304.v1
title: 3,5-Ethanoproline - B3LYP/6-31G(d) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765305.v1
title: 3,5-Ethanoproline - B3LYP/6-311G(d,p) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765306
title: 3,5-Ethanoproline - B3LYP/6-311G(d,p) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765307.v1
title: 3,5-Ethanoproline - B3LYP/6-311G(d,p) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765296
title: Proline - M062X/6-31G(d) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765303
title: 3,5-Ethanoproline - B3LYP/6-31G(d) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765306.v1
title: 3,5-Ethanoproline - B3LYP/6-311G(d,p) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765294
title: Proline - M062X/6-31G(d) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765295
title: Proline - M062X/6-31G(d) - DMSO - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765296.v1
title: Proline - M062X/6-31G(d) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765302
title: 3,5-Ethanoproline - B3LYP/6-31G(d) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765293
title: Proline - M062X/6-311G(d,p) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765295.v1
title: Proline - M062X/6-31G(d) - DMSO - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765302.v1
title: 3,5-Ethanoproline - B3LYP/6-31G(d) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765292
title: Proline - M062X/6-311G(d,p) - DMSO - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765294.v1
title: Proline - M062X/6-31G(d) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765303.v1
title: 3,5-Ethanoproline - B3LYP/6-31G(d) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765290
title: Proline - M062X/6-31G(d) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765291
title: Proline - M062X/6-311G(d,p) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765292.v1
title: Proline - M062X/6-311G(d,p) - DMSO - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765293.v1
title: Proline - M062X/6-311G(d,p) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765287
title: Proline - M062X/6-311G(d,p) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765288
title: Proline - M062X/6-31G(d) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765289
title: Proline - M062X/6-31G(d) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765290.v1
title: Proline - M062X/6-31G(d) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765291.v1
title: Proline - M062X/6-311G(d,p) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765285
title: Proline - M062X/6-311G(d,p) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765286
title: Proline - M062X/6-311G(d,p) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765287.v1
title: Proline - M062X/6-311G(d,p) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765288.v1
title: Proline - M062X/6-31G(d) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765289.v1
title: Proline - M062X/6-31G(d) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765283
title: Proline - wB97XD/6-311G(d,p) - DMSO - SynTS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765284
title: Proline - wB97XD/6-311G(d,p) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765285.v1
title: Proline - M062X/6-311G(d,p) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765281
title: Proline - wB97XD/6-31G(d) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765282
title: Proline - wB97XD/6-311G(d,p) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765282.v1
title: Proline - wB97XD/6-311G(d,p) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765284.v1
title: Proline - wB97XD/6-311G(d,p) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765286.v1
title: Proline - M062X/6-311G(d,p) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765279
title: Proline - wB97XD/6-31G(d) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765280
title: Proline - wB97XD/6-31G(d) - DMSO - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765281.v1
title: Proline - wB97XD/6-31G(d) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765276
title: Proline - wB97XD/6-31G(d) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765277
title: Proline - wB97XD/6-31G(d) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765278
title: Proline - wB97XD/6-31G(d) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765280.v1
title: Proline - wB97XD/6-31G(d) - DMSO - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765276.v1
title: Proline - wB97XD/6-31G(d) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765278.v1
title: Proline - wB97XD/6-31G(d) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765279.v1
title: Proline - wB97XD/6-31G(d) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765272
title: Proline - B3LYP/6-311G(d,p) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765273
title: Proline - wB97XD/6-311G(d,p) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765274
title: Proline - wB97XD/6-311G(d,p) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765272.v1
title: Proline - B3LYP/6-311G(d,p) - DMSO - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765273.v1
title: Proline - wB97XD/6-311G(d,p) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765274.v1
title: Proline - wB97XD/6-311G(d,p) - No Solvent - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765275
title: Proline - wB97XD/6-311G(d,p) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765270
title: Proline - B3LYP/6-311G(d,p) - DMSO - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765271
title: Proline - B3LYP/6-311G(d,p) - DMSO - Syn TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765275.v1
title: Proline - wB97XD/6-311G(d,p) - No Solvent - Triketone

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DOI: 10.6084/m9.figshare.765267
title: Proline - B3LYP/6-31G(d) - No Solvent - Anti TS

description: Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.