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Dannenberg, J. J., Liotard, Daniel, Halvick, Philippe, Rayez, Jean Claude (1996) Theoretical Studies of High-Spin Organic Molecules. 1. Enhanced Coupling between Multiple Unpaired Electrons. The Journal of Physical Chemistry, 100 (23). 9631-9637 doi:10.1021/jp953552q

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Reference TypeJournal (article/letter/editorial)
TitleTheoretical Studies of High-Spin Organic Molecules. 1. Enhanced Coupling between Multiple Unpaired Electrons
JournalThe Journal of Physical Chemistry
AuthorsDannenberg, J. J.Author
Liotard, DanielAuthor
Halvick, PhilippeAuthor
Rayez, Jean ClaudeAuthor
Year1996 (January)Volume100
Issue23
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp953552qSearch in ResearchGate
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Mindat Ref. ID8041853Long-form Identifiermindat:1:5:8041853:3
GUID0
Full ReferenceDannenberg, J. J., Liotard, Daniel, Halvick, Philippe, Rayez, Jean Claude (1996) Theoretical Studies of High-Spin Organic Molecules. 1. Enhanced Coupling between Multiple Unpaired Electrons. The Journal of Physical Chemistry, 100 (23). 9631-9637 doi:10.1021/jp953552q
Plain TextDannenberg, J. J., Liotard, Daniel, Halvick, Philippe, Rayez, Jean Claude (1996) Theoretical Studies of High-Spin Organic Molecules. 1. Enhanced Coupling between Multiple Unpaired Electrons. The Journal of Physical Chemistry, 100 (23). 9631-9637 doi:10.1021/jp953552q
In(1996, January) The Journal of Physical Chemistry Vol. 100 (23) American Chemical Society (ACS)

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Turi, László, Dannenberg, J. J. (1996) Molecular Orbital Studies of Crystalline Nitroanilines. The Journal of Physical Chemistry, 100 (23). 9638-9648 doi:10.1021/jp960034m
Dannenberg, J.J., Rayez, J.C., Rayez-Meaume, M.T., Halvick, P. (1985) A theoretical study of the bond dissociations of small molecules using MNDO/CI. Journal of Molecular Structure: THEOCHEM, 123. 343-359 doi:10.1016/0166-1280(85)80176-7
Louis, Florent, Rayez, Marie-The´rèse, Rayez, Jean-Claude, Sawerysyn, Jean-Pierre (1999) Ab initio theoretical studies of the reactions between fluorine atoms and halomethanes of type CHCl3- xF x ( x=0, 1, 2 or 3). Physical Chemistry Chemical Physics, 1 (3). 383-389 doi:10.1039/a807297c
Rayez, Marie-Therese, Rayez, Jean-Claude, Sawerysyn, Jean-Pierre (1994) Ab Initio Studies of the Reactions of Chlorine Atoms with Fluoro- and Chloro-Substituted Methanes. The Journal of Physical Chemistry, 98 (44). 11342-11352 doi:10.1021/j100095a017
Rayez, J.C., Rayez, M.T., Halvick, P., Duguay, B., Dannenberg, J.J. (1987) A theoretical study of the decomposition of halogenated alkoxy radicals. II. Fluorine extrusion. Chemical Physics, 118. 265-272 doi:10.1016/0301-0104(87)87042-8
Talhaoui, A., Louis, F., Devolder, P., Meriaux, B., Sawerysyn, J.-P., Rayez, M.-T., Rayez, J.-C. (1996) Rate Coefficients of the Reactions of Chlorine Atoms with Haloethanes of Type CH3CCl3-xFx(x= 0, 1, and 2):  Experimental and ab Initio Theoretical Studies. The Journal of Physical Chemistry, 100 (32). 13531-13538 doi:10.1021/jp9603243
Rayez, Marie Therese, Rayez, Jean Claude, Berces, Tibor, Lendvay, Gyorgy (1993) Theoretical study of the reactions of hydroxyl radicals with substituted acetaldehydes. The Journal of Physical Chemistry, 97 (21). 5570-5576 doi:10.1021/j100123a019
Louis, Florent, Talhaoui, Abdelmonaem, Sawerysyn, Jean-Pierre, Rayez, Marie-Thérèse, Rayez, Jean-Claude (1997) Rate Coefficients for the Gas Phase Reactions of CF3CH2F (HFC-134a) with Chlorine and Fluorine Atoms:  Experimental and ab Initio Theoretical Studies. The Journal of Physical Chemistry A, 101 (45). 8503-8507 doi:10.1021/jp972001s
Gambarelli, Serge, Jaouen, Daniel, Rassat, André, Brunel, Louis-Claude, Chachaty, Claude (1996) High-Field Electron Spin Resonance Study of a Nitroxide Biradical, 1,4-Bis(4‘,4‘-dimethyloxazolidin-N-oxyl)cyclohexane. The Journal of Physical Chemistry, 100 (23). 9605-9609 doi:10.1021/jp953788u
Rayez, J.C., Rayez, M.T., Halvick, P., Duguay, B., Lesclaux, R., Dannenberg, J.J. (1987) A theoretical study of the decomposition of halogenated alkoxy radicals. I. Hydrogen and chlorine extrusions. Chemical Physics, 116. 203-213 doi:10.1016/0301-0104(87)80082-4
Boggio-Pasqua, M., Halvick, Ph., Rayez, M.-T., Rayez, J.-C., Robbe, J.-M. (1998) Ab Initio Study of the Potential Energy Surfaces for the Reaction C + CH → C2+ H. The Journal of Physical Chemistry A, 102 (11). 2009-2015 doi:10.1021/jp9726596
 
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