Organic Thermochemistry at High ab Initio Levels. 2. Meeting the Challenge: Standard Heats of Formation of Gaseous Norbornane, 2-Norbornene, 2,5-Norbornadiene, Cubane, and Adamantane at the G2 Level-Reference-Cited by-同舟云学术

Organic Thermochemistry at High ab Initio Levels. 2. Meeting the Challenge: Standard Heats of Formation of Gaseous Norbornane, 2-Norbornene, 2,5-Norbornadiene, Cubane, and Adamantane at the G2 Level

Published:1999-12-01 Issue:25 Volume:64 Page:9015-9018
ISSN:0022-3263
Container-title:The Journal of Organic Chemistry
language:en
Short-container-title:J. Org. Chem.

Author:

Castaño O.¹,Notario R.¹,Abboud J.-L. M.¹,Gomperts R.¹,Palmeiro R.¹,Frutos L.-M.¹

Affiliation:

1. Departamento de Química Física, Universidad de Alcalá, 28871 Alcalá de Henares, Madrid, Spain, Instituto de Química Física “Rocasolano”, CSIC, Serrano 119, 28006 Madrid, Spain, and Silicon Graphics, Inc., One Cabot Road, Hudson, Massachusetts 01749

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jo9908997

Reference37 articles.

1. Organic Thermochemistry at High ab Initio Levels. 1. A G2(MP2) and G2 Study of Cyclic Saturated and Unsaturated Hydrocarbons (Including Aromatics)

2. An evaluation of the performance of G2, G2(MP2) and G2(MP2,SVP) theories for heats of formation and heats of reaction in the case of 'large' hydrocarbons

3. Heats of Formation from G2, G2(MP2), and G2(MP2,SVP) Total Energies

4. Accurate thermochemistry for larger molecules: Gaussian-2 theory with bond separation energies

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