Organic Thermochemistry at High ab Initio Levels. 3. A G3 Study of Cyclic Saturated and Unsaturated Hydrocarbons (Including Aromatics)-Reference-Cited by-同舟云学术

Organic Thermochemistry at High ab Initio Levels. 3. A G3 Study of Cyclic Saturated and Unsaturated Hydrocarbons (Including Aromatics)

Published:2000-06-13 Issue:14 Volume:65 Page:4298-4302
ISSN:0022-3263
Container-title:The Journal of Organic Chemistry
language:en
Short-container-title:J. Org. Chem.

Author:

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

Affiliation:

1. Instituto de Química Física “Rocasolano”, C.S.I.C., Serrano 119, 28006 Madrid, Spain, Departamento de Química Física, Universidad de Alcalá, 28871 Alcalá de Henares, 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/jo000089r

Reference46 articles.

1. 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

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

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

4. Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds

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