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An ab initio molecular orbital study of the structure and properties of propadienone (methyleneketene)

L Radom
31(1) pp.1 - 9


17 articles found in Crossref database.

An approach to tricyclo[8.4.0.04.7] Tetradecahepta-1,3,5,7,9,11,13,ENE (benzo[1,2-α]cyclobuta [1,2-ecyclooctatetraene)
C. Berris Bruce, Peter K., Vollhardt C.
Tetrahedron. 1982 38(19). p.2911
DFT studies on the mechanism of the cycloaddition reaction between methyleneketene and 5-methylene-1,3-dioxan-4,6-dione: regioselectivity and solvent effect
Sheng Ying-Hong, Fang De-Cai, Wu Yun-Dong, Fu Xiao-Yuan, Jiang Yuansheng
Journal of Molecular Structure: THEOCHEM. 1999 488(1-3). p.187
Microwave spectrum, structure and dipole moment of difluoropropadienone
Tam H.S., Harmony Marlin D., Brahms John C., Dailey William P.
Journal of Molecular Structure. 1990 223 p.217
DFT studies on the mechanism of the 1,3–dipolar cycloaddition reaction between methyleneketene and pyrroline–1–oxide
Sheng Ying-Hong, Fang De-Cai, Wu Yun-Dong, Fu Xiao-Yuan, Jiang Yuansheng
Journal of Molecular Structure: THEOCHEM. 1999 467(1). p.31
The structure of propadienone (CH2CCO)
Farnell Leslie, Radom Leo
Chemical Physics Letters. 1982 91(5). p.373
Explaining the unexpected structure of propadienone
Brown Ronald D., Dittman Ronald G.
Chemical Physics. 1984 83(1-2). p.77
Diode laser absorption spectroscopy of the ν 2 fundamental band of propadienone formed in a pyrolysis jet
O’Sullivan P. J., Livingstone R. J., Liu Z., Davies P. B.
Molecular Physics. 2007 105(5-7). p.727
The peculiar structure of propadienone (H2C3O)
Brown R.D.
Journal of Molecular Structure. 1983 97 p.293
Theoretical Study of the Electronic Structure of Ketene, Ketenimine, Keteniminium Ion and Related Cumulenes. Evaluation of a 1,2 Dipolar Model
Sonveaux E., André J. M., Delhalle J., Fripiat J. G.
Bulletin des Sociétés Chimiques Belges. 1985 94(11-12). p.831
Theoretical study of the regioselectivity of the cycloaddition reaction between cyclopentadiene and methyleneketene
Sheng Yinghong, Leszczynski Jerzy
Tetrahedron. 2006 62(29). p.7014
Should pyrolysis of diazotetranoic acid produce methylene ketene? A theoretical structural, thermochemical and kinetic study
Poudel Pitambar, Ja'o Aliyu M., Masters Sarah L.
Chemical Physics Letters. 2022 802 p.139770
Flash vacuum pyrolysis of 2-diazo-8-oxabicyclo[3.2.1]Oct-6-en-3-ones. A new method for the preparation of propadienones.
Brahms John C, Dailey William P
Tetrahedron Letters. 1990 31(10). p.1381
HOC+: An observable interstellar species? A comparison with the isomeric and isoelectronic HCO+, HCN and HNC
Nobes Ross H., Radom Leo
Chemical Physics. 1981 60(1). p.1
Photolysis of the Dichlorocyclobutenedione in Rare Gas at 10 K. Infrared Spectral Analysis and ab Initio Calculations of Vibrational Frequencies. First Identification of Two New Species (Dichloro-Substituted Bisketene and Dichloropropadienone). Kinetics and Reaction Mechanism
Mincu I., Hillebrand M., Allouche A., Cossu M., Verlaque P., Aycard J. P., Pourcin J.
The Journal of Physical Chemistry. 1996 100(40). p.16045
An ab Initio Study of the C3H2O Potential Surface:  A Mechanism for Propynal Formation and Destruction
Ekern Scott, Szczepanski Jan, Vala Martin
The Journal of Physical Chemistry. 1996 100(40). p.16109
Are cumulenones kinked? A systematic high-level ab initio study of H 2 CCCO, H 2 CCCCO and H 2 CCCCCO
Scott A.P, Radom L
Journal of Molecular Structure. 2000 556(1-3). p.253
The molecular structure and quadratic force field of tetramethylbutatriene (2,5-dimethyl-2,3,4-hexatriene) studied by gas-phase electron diffraction and ab initio MO calculations, and adjunct ab initio studies of butatriene
Gundersen Grete, Thomassen Hanne G., Anensen J.Erik
Journal of Molecular Structure. 1995 346 p.153

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