Pyramidane 2. Further computational studies: potential energy surface, basicity and acidity, electron-withdrawing and electron-donating power, ionization energy and electron affinity, heat of formation and strain energy, and NMR chemical shifts-Reference-Cited by-同舟云学术

Pyramidane 2. Further computational studies: potential energy surface, basicity and acidity, electron-withdrawing and electron-donating power, ionization energy and electron affinity, heat of formation and strain energy, and NMR chemical shifts

Published:2000-07 Issue:1-3 Volume:507 Page:165-184
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Lewars E

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference78 articles.

1. Pyramidane: an ab initio study of the C5H4 potential energy surface

2. Gaussian‐2 theory using reduced Mo/ller–Plesset orders

3. Density Functional Theory of Electronic Structure

4. Density-Functional Theory of the Electronic Structure of Molecules

5. Density‐functional thermochemistry. III. The role of exact exchange

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