4b~~oorb~~calcuLuonsonrhe~dlUonof~ound(?-~)stnreCHto~oundsrateC=H~ hasebeen cz.?edaufwzLhm the unrestricted Hartree-Fock framework (m&m al STO4G basis set) 4nalysls of the potential energy hypersurfxes shows that the as) mmetnc reaction path has no actwatlon energy while the symmetnc, least motion a
✦ LIBER ✦
Ab initio calculation of the reaction path for the addition of singlet (1A1) methylene to ethylene
✍ Scribed by Zurawski, Bronislaw; Kutzelnigg, Werner
- Book ID
- 127183116
- Publisher
- American Chemical Society
- Year
- 1978
- Tongue
- English
- Weight
- 734 KB
- Volume
- 100
- Category
- Article
- ISSN
- 0002-7863
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Ab initio scf molecular orbital calculat
✍
R.K. Gosavi; O.P. Strausz; H.E. Gunning
📂
Article
📅
1980
🏛
Elsevier Science
🌐
English
⚖ 401 KB
Accurate ab initio calculations for the
✍
Charles W. Bauschlicher Jr.
📂
Article
📅
1980
🏛
Elsevier Science
🌐
English
⚖ 321 KB
Intermediates in the chemiluminescent re
✍
Harding, Lawrence B.; Goddard, William A.
📂
Article
📅
1977
🏛
American Chemical Society
🌐
English
⚖ 592 KB
An ab initio calculation of ν1 and ν3 fo
✍
McLean, A. D.; Bunker, P. R.; Escribano, R. M.; Jensen, Per
📂
Article
📅
1987
🏛
American Institute of Physics
🌐
English
⚖ 565 KB
Ab initio calculations including electro
✍
Danuta Jeziorek; Bronisław Żurawski
📂
Article
📅
1979
🏛
John Wiley and Sons
🌐
English
⚖ 542 KB
## Abstract __Ab initio__ calculations on the SCF level and with the inclusion of valence shell electron correlation in the IEPA–PNO (independent electron pair approximation with pair natural orbitals), the PNO–CI (pair‐natural‐orbital configuration interaction) and the CEPA–PNO (coupled electron p
An ab initio molecular orbital study on
✍
W. Joseph Haines; Imre G. Csizmadia
📂
Article
📅
1973
🏛
Springer
🌐
English
⚖ 258 KB