Michael J. S. Dewar, Ph.D. - Publications

Affiliations: 
1945-1951 Chemistry Cortaulds 
 1951-1959 Chemistry University of London, London, England, United Kingdom 
 1959-1963 Chemistry University of Chicago, Chicago, IL 
 1963-1989 Chemistry University of Texas at Austin, Austin, Texas, U.S.A. 
 1989-1994 Chemistry University of Florida, Gainesville, Gainesville, FL, United States 
Area:
Theoretical chemistry
Website:
http://www.nap.edu/openbook.php?record_id=9681&page=64

72 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any innacuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
1994 Dewar MJS, Gilbert JC, Kirschner S. Computation of an orbital isomer of cyclobutyne Journal of the Chemical Society, Chemical Communications. 1105-1106. DOI: 10.1039/C39940001105  0.64
1993 Dewar MJS, Jie C, Yu J. SAM1; The first of a new series of general purpose quantum mechanical molecular models Tetrahedron. 49: 5003-5038. DOI: 10.1016/S0040-4020(01)81868-8  0.64
1992 Dewar MJS, Jie C. Mechanisms of pericyclic reactions: The role of quantitative theory in the study of reaction mechanisms Accounts of Chemical Research. 25: 537-543.  0.64
1991 Dewar MJS, Zheng YJ. A theoretical study of the HP4 ion Inorganic Chemistry. 30: 3361-3362.  0.64
1991 Dewar MJS, Healy EF, Kuhn DR, Holder AJ. AM1 parameters for tin Organometallics. 10: 431-435.  0.56
1991 Dewar MJS, Hwang JC, Kuhn DR. An AM1 study of the reactions of ozone with ethylene and 2-butene Journal of the American Chemical Society. 113: X-741.  0.64
1990 Dewar MJS, Krull KL. Acidity of carboxylic acids: Due to delocalization or induction? Journal of the Chemical Society, Chemical Communications. 333-334. DOI: 10.1039/C39900000333  0.64
1990 Dewar MJS, Zheng YJ. Structure of the oxalate ion Journal of Molecular Structure: Theochem. 209: 157-162. DOI: 10.1016/0166-1280(90)85053-P  0.64
1990 Dewar MJS, Liotard DA. An efficient procedure for calculating the molecular gradient, using SCF-CI semiempirical wavefunctions with a limited number of configurations Journal of Molecular Structure: Theochem. 206: 123-133. DOI: 10.1016/0166-1280(90)85012-C  0.64
1990 Dewar MJS, Yuan YC. AM1 parameters for sulfur Inorganic Chemistry. 29: 3881-3890.  0.64
1990 Dewar MJS, Holder AJ. AM1 parameters for aluminum Organometallics. 9: 508-511.  0.56
1990 Dewar MJS, Yuan YC. AM1 studies of E2 reactions. 2. Regioselectivity, stereochemistry, kinetic isotope effects, and competition with SN2 reactions Journal of the American Chemical Society. 112: 2095-2105.  0.64
1990 Dewar MJS, Yuan YC. AM1 studies of E2 reactions. 1. Mechanism and leaving group effects Journal of the American Chemical Society. 112: 2088-2094.  0.64
1989 Dewar MJS, Holder AJ, Healy EF, Olivella S. Comparison of single point ab initio energies calculated using 3-21G and AM1 geometries Journal of the Chemical Society, Chemical Communications. 1452-1454. DOI: 10.1039/C39890001452  0.56
1989 Dewar MJS, Jie C. Cope rearrangement of 3,3-dicyanohexa-1,5-diene Journal of the Chemical Society, Chemical Communications. 98-100. DOI: 10.1039/C39890000098  0.64
1989 Dewar MJS, Jie C. AM1 parameters for phosphorus Journal of Molecular Structure: Theochem. 187: 1-13. DOI: 10.1016/0166-1280(89)85145-0  0.64
1989 Dewar MJS. A critique of frontier orbital theory Journal of Molecular Structure: Theochem. 200: 301-323. DOI: 10.1016/0166-1280(89)85062-6  0.64
1989 Dewar MJS, Holder AJ. Is triquinacene homoaromatic? A computational study Journal of the American Chemical Society. 111: 5384-5387.  0.56
1989 Dewar MJS, Jie C. AM1 calculations for compounds containing germanium Organometallics. 8: 1544-1547.  0.64
1989 Merz KM, Hoffmann R, Dewar MJS. Mode of action of carbonic anhydrase Journal of the American Chemical Society. 111: 5636-5649.  0.64
1989 Dewar MJS, Storch DM. Anionic substitution at carbonyl carbon. Implications for the chemistry of ions in solution Journal of the Chemical Society, Perkin Transactions 2. 877-885.  0.64
1989 Dewar MJS, Dennington RD. DEWAR-PI study of electrophilic substitution in selected polycyclic fluoranthene hydrocarbons Journal of the American Chemical Society. 111: 3804-3808.  0.64
1989 Dewar MJS, Jie C. AM1 calculations for compounds containing mercury Organometallics. 8: 1547-1549.  0.64
1989 Dewar MJS, Jie C. Mechanism of the Claisen rearrangement of allyl vinyl ethers Journal of the American Chemical Society. 111: 511-519.  0.64
1989 Dewar MJS, Holder AJ. Aromatic energies of some heteroaromatic molecules Heterocycles. 28: 1135-1156.  0.56
1988 Dewar MJS, Zoebisch EG. Extension of AM1 to the halogens Journal of Molecular Structure: Theochem. 180: 1-21. DOI: 10.1016/0166-1280(88)80074-5  0.64
1988 Dewar MJS, Healy EF, Ruiz JM. Mechanism of the 1,5-sigmatropic hydrogen shift in 1,3-pentadiene Journal of the American Chemical Society. 110: 2666-2667.  0.64
1988 Dewar MJS, Jie C, Zoebisch EG. AM1 calculations for compounds containing boron Organometallics. 7: 513-521.  0.64
1988 Dewar MJS, Merz KM. AM1 parameters for zinc Organometallics. 7: 522-524.  0.64
1987 Dewar MJS, Jie C. Alternative transition states in the Cope rearrangements of hexa-1,5-diene Journal of the Chemical Society, Chemical Communications. 1451-1453. DOI: 10.1039/C39870001451  0.64
1987 Dewar MJS, Healy EF, Ruiz JM. A high level ab initio study of corner-protonated cyclopropane Journal of the Chemical Society, Chemical Communications. 943-945. DOI: 10.1039/C39870000943  0.64
1987 Dewar MJS, Ruiz JM. Mechanism of the biosynthesis of squalene from farnesyl pyrophosphate Tetrahedron. 43: 2661-2674. DOI: 10.1016/S0040-4020(01)86871-X  0.64
1987 Dewar MJS, Healy EF. Ab initio study of the chair cope rearrangement of 1,5-hexadiene Chemical Physics Letters. 141: 521-524. DOI: 10.1016/0009-2614(87)85073-X  0.64
1987 Dewar MJS, O'Connor BM. Testing ab initio procedures; The 6-31G* model Chemical Physics Letters. 138: 141-145. DOI: 10.1016/0009-2614(87)80356-1  0.64
1987 Dewar MJS, Gardiner WC, Frenklach M, Oref I. Rate constant for cyclization/decyclization of the phenyl radical Journal of the American Chemical Society. 109: 4456-4457.  0.56
1987 Dewar MJS, Merz KM. The reformatsky reaction Journal of the American Chemical Society. 109: 6553-6554.  0.64
1987 Dewar MJS, Jie C. AM1 calculations for compounds containing silicon Organometallics. 6: 1486-1490.  0.64
1987 Caldwell RA, Misawa H, Healy EF, Dewar MJS. An unusually large secondary deuterium isotope effect. Thermal trans-cis isomerization of trans-1-phenylcyclohexene Journal of the American Chemical Society. 109: 6869-6870.  0.56
1987 Dewar MJS, Jie C. Mechanism of the cope rearrangement Journal of the American Chemical Society. 109: 5893-5900.  0.64
1987 Dewar MJS, Grady GL, Healy EF. MNDO calculations for compounds containing germanium Organometallics. 6: 186-189.  0.64
1986 Dewar MJ, Merz KM. Correction. mechanism of the azulene to napthalene rearrangement. Journal of the American Chemical Society. 108: 557. PMID 22175506 DOI: 10.1021/ja00263a602  0.4
1986 Dewar MJ, Kuhn DR. MNDO study of the reaction of tetramethylstannane with bromine. Journal of the American Chemical Society. 108: 551-2. PMID 22175502 DOI: 10.1021/ja00263a057  0.36
1986 Dewar MJ, Olivella S, Stewart JJ. Mechanism of the Diels-Alder reaction: reactions of butadiene with ethylene and cyanoethylenes. Journal of the American Chemical Society. 108: 5771-9. PMID 22175326 DOI: 10.1021/ja00279a018  0.56
1986 Dewar MJ. New ideas about enzyme reactions. Enzyme. 36: 8-20. PMID 3792297  0.56
1986 Dewar MJS, Reynolds CH. A MINDO/3 study of the ethylene dication Journal of Molecular Structure: Theochem. 136: 209-214. DOI: 10.1016/0166-1280(86)80136-1  0.64
1986 Dewar MJS, Merz KM. Thermal rearrangements of C10H8 species; benzvalene analogues and the automerization of naphthalene Journal of the American Chemical Society. 108: 5146-5153.  0.64
1986 Dewar MJS, Merz KM. The C10H8 potential energy surface: The azulene-to-naphthalene rearrangement Journal of the American Chemical Society. 108: 5142-5145.  0.64
1986 Dewar MJS, Dieter KM. Evaluation of AM1 calculated proton affinities and deprotonation enthalpies Journal of the American Chemical Society. 108: 8075-8086.  0.64
1986 Dewar MJS, Merz KM. MNDO calculations for compounds containing zinc Organometallics. 5: 1494-1496.  0.64
1986 Dewar MJS, Friedheim J, Grady G, Healy EF, Stewart JJP. Revised MNDO parameters for silicon Organometallics. 5: 375-379.  0.64
1986 Dewar MJS, Merz KM. On the question of heavy atom tunneling in the 2-norbornyl cation Journal of the American Chemical Society. 108: 5634-5635.  0.64
1985 Dewar MJS, Merz KM. MNDO calculations for the dehydrocyclooctatetraenes Journal of the American Chemical Society. 107: 6175-6179.  0.64
1985 Dewar MJS, Grady GL. MNDO study of 2,4,6-trithia-1,3,5-tristannaadamantane Organometallics. 4: 1327-1329.  0.64
1985 Dewar MJS, Storch DM. Comparative tests of theoretical procedures for studying chemical reactions Journal of the American Chemical Society. 107: 3898-3902.  0.64
1985 Dewar MJS, Ritchie JP, Alster J. Thermolysis of molecules containing NO2 groups Journal of Organic Chemistry. 50: 1031-1036.  0.64
1985 Dewar MJS, Storch DM. Can desolvation of an ion be the rate-determining step in a reaction? Journal of the Chemical Society, Chemical Communications. 94-96.  0.64
1985 Dewar MJS, Grady GL, Merz KM, Stewart JJP. MNDO calculations for compounds containing mercury Organometallics. 4: 1964-1966.  0.64
1985 Dewar MJS, Merz KM, Stewart JJP. Vibrationally assisted tunnelling (VAT) in a 1,5 hydrogen shift? Journal of the Chemical Society, Chemical Communications. 166-168.  0.64
1985 Dewar MJS, Merz KM. Mechanism of the azulene to naphthalene rearrangement Journal of the American Chemical Society. 107: 6111-6112.  0.64
1985 Dewar MJS, Olivelia S. MNDO study of ring opening in the succinimidyl radical Journal of the Chemical Society, Chemical Communications. 301-303.  0.64
1985 Dewar MJS, Merz KM. Does chair cyclo-octatetraene exist? Journal of the Chemical Society, Chemical Communications. 343-344.  0.64
1985 Dewar MJS, Holloway MK, Grady GL, Stewart JJP. MNDO calculations for compounds containing lead Organometallics. 4: 1973-1980.  0.64
1985 Dewar MJS. Quantum mechanical molecular models Journal of Physical Chemistry. 89: 2145-2150.  0.64
1985 Dewar MJS, Grady GL, Kuhn DR. A MNDO study of tin radical cations Organometallics. 4: 1041-1044.  0.64
1985 Dewar MJS, Tien TP. Photoelectron spectrum of benzyne Journal of the Chemical Society, Chemical Communications. 1243-1244.  0.64
1985 Dewar MJS, Merz KM. Potential energy surfaces and tunnelling dynamics of some Jahn-Teller active molecules Journal of Physical Chemistry. 89: 4739-4744.  0.64
1985 Dewar MJS. Structure of the 2-norbornyl cation Accounts of Chemical Research. 18: 292.  0.64
1985 Dewar MJS, Friedheim JE, Grady GL. Stannylenes: An MNDO investigation Organometallics. 4: 1784-1787.  0.64
1985 Dewar MJS, Zoebisch EG, Healy EF, Stewart JJP. AM1: A new general purpose quantum mechanical molecular model Journal of the American Chemical Society. 107: 3902-3909.  0.64
1985 Dewar MJS, Merz KM. Aspects of organomercury chemistry Organometallics. 4: 1967-1972.  0.64
1985 Dewar MJS, Merz KM. On the double proton shift in azophenine Journal of Molecular Structure: Theochem. 25: 183-185.  0.64
1985 Dewar MJS, Merz KM. The MNDO potential energy surface and tunnelling dynamics of the cyclobutane radical cation Journal of Molecular Structure: Theochem. 23: 59-65.  0.64
Show low-probability matches.