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DeLos F. DeTar, Ph.D. - Publications

Affiliations: 
Chemistry Florida State University, Tallahassee, FL, United States 
Area:
physical organic chemistry

110 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, 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
2007 DeTar DF. Calculation of entropy and heat capacity of organic compounds in the gas phase. Evaluation of a consistent method without adjustable parameters. Applications to hydrocarbons. The Journal of Physical Chemistry. A. 111: 4464-77. PMID 17447733 DOI: 10.1021/jp066312r  1
2001 DeTar DF. Thermochemical values of oxygen-containing compounds from ab initio calculations: 2. High accuracy enthalpies of formation of alcohols and ethers Journal of Physical Chemistry A. 105: 2073-2084.  1
1999 Detar DF. Thermochemical Values of Oxygen-Containing Compounds from ab Initio Calculations. 1. Enthalpies of Formation of Ethers and Alcohols Journal of Physical Chemistry A. 103: 7055-7068.  1
1998 DeTar DF. Theoretical ab initio calculation of entropy, heat capacity, and heat content Journal of Physical Chemistry A. 102: 5128-5141.  1
1995 DeTar DF. A critical examination of the calculation of ΔHf° values from ab initio energies and from steric energies obtained by molecular mechanics The Journal of Organic Chemistry. 60: 7125-7133.  1
1995 DeTar DF. Desk Top Molecular Modeller. M. James C. Crabbe, John R. Appleyard and Catherine Rees Lay. Electronic Publishing, Oxford University Press, Walton Street, Oxford OX2 6DP, England Computers and Chemistry. 19: 63.  1
1992 DeTar DF. Calculation of formal steric enthalpy with MM2 Journal of Organic Chemistry. 57: 902-910. DOI: 10.1021/Jo00029A022  1
1991 DeTar DF. Experimental formal steric enthalpy. 2. Olefins Journal of Organic Chemistry. 56: 1470-1474. DOI: 10.1021/Jo00004A024  1
1991 DeTar DF. Experimental formal steric enthalpy. 1. Alkanes and cycloalkanes Journal of Organic Chemistry. 56: 1463-1470. DOI: 10.1021/Jo00004A023  1
1991 DeTar DF. Experimental formal steric enthalpy. 3. Alcohols and ethers Journal of Organic Chemistry. 56: 1474-1478.  1
1991 DeTar DF. Experimental formal steric Enthalpy. 4. Aldehydes, ketones, acids, and esters Journal of Organic Chemistry. 56: 1478-1481.  1
1989 Detar DF. Modular molecular mechanics programs and transportable force fields-a partly implemented proposal Computers and Chemistry. 13: 111-116. DOI: 10.1016/0097-8485(89)80002-6  1
1988 Detar DF. Procedures for defining FSE standards Computers and Chemistry. 12: 1-14. DOI: 10.1016/0097-8485(88)85001-0  1
1987 DeTar DF, Binzet S, Darba P. Theoretical calculation of effects of steric hindrance on rates of esterification and of acid-catalyzed hydrolysis Journal of Organic Chemistry. 52: 2074-2082. DOI: 10.1021/Jo00386A032  1
1987 DeTar DF. General definition of formal steric enthalpy and applications to estimating differences of enthalpies of formation Journal of Organic Chemistry. 52: 1851-1857. DOI: 10.1021/Jo00385A037  1
1986 DeTar DF. Conformational populations and reaction rates Journal of Organic Chemistry. 51: 3749-3751. DOI: 10.1021/Jo00370A001  1
1985 DeTar DF, Binzet S, Darba P. Formal steric enthalpy. Alcohols, ethers, and olefins Journal of Organic Chemistry. 50: 5298-5303. DOI: 10.1021/Jo00225A059  1
1985 DeTar DF, Binzet S, Darba P. Formal steric enthalpies of crowded methyl esters Journal of Organic Chemistry. 50: 5304-5308. DOI: 10.1002/Chin.198621058  1
1984 DeTar D. Editorial: Software survey section Computers and Chemistry. 8: I-III.  1
1983 DeTar DF, Delahunty C. Ester aminolysis: New reaction series for the quantitative measurement of steric effects Journal of the American Chemical Society. 105: 2734-2739. DOI: 10.1021/Ja00347A036  1
1982 DeTar DF. Tetrahedral intermediate in acyl transfer reactions. A revaluation of the significance of rate data used in deriving fundamental linear free energy relationships Journal of the American Chemical Society. 104: 7205-7212. DOI: 10.1021/Ja00389A051  1
1981 DeTar DF. Computation of enzyme-substrate specificity. Biochemistry. 20: 1730-43. PMID 7225355  1
1981 DeTar DF. Computation of peptide-protein interactions. Catalysis by chymotrypsin: Prediction of relative substrate reactivities Journal of the American Chemical Society. 103: 107-110. DOI: 10.1021/Ja00391A020  1
1980 DeTar DF. Effects of alkyl groups on rates of SN2 reactions Journal of Organic Chemistry. 45: 5174-5176. DOI: 10.1021/Jo01313A030  1
1980 DeTar DF. Effects of alkyl groups on rates of acyl-transfer reactions Journal of Organic Chemistry. 45: 5166-5174. DOI: 10.1021/Jo01313A029  1
1980 DeTar DF, Luthra NP. Quantitative evaluation of steric effects in SN2 ring closure reactions Journal of the American Chemical Society. 102: 4505-4512. DOI: 10.1021/Ja00533A033  1
1980 DeTar DF. Taft σ* values of alkyl groups: An artifact [39] Journal of the American Chemical Society. 102: 7988-7990.  1
1979 DeTar DF, Luthra NP. Ring conformations of proline. Solution studies based on lanthanide nuclear magnetic resonance shifts and molecular mechanics Journal of Organic Chemistry. 44: 3299-3305. DOI: 10.1021/Jo01333A005  1
1979 DeTar DF. A new model for estimating concentrations of substances emitted from a line source Journal of the Air Pollution Control Association. 29: 138-141.  1
1978 DeTar DF, McMullen DF, Luthra NP. Steric effects in SN2 reactions Journal of the American Chemical Society. 100: 2484-2493. DOI: 10.1021/Ja00476A036  1
1978 Detar DF. Calculator least squares evaluation of k, yo, and y∞ for the first order rate equation Computers and Chemistry. 2: 99-104. DOI: 10.1016/0097-8485(78)87009-0  1
1978 Detar DF. Calculator algorithms (AESHK) for interconverting Arrhenius A and E to ΔH‡ and ΔS‡ and for calculating interpolated rate constants Computers and Chemistry. 2: 149-151. DOI: 10.1016/0097-8485(78)85008-6  1
1978 Detar DF. Least squares treatment of the arrhenius equation by a programmable calculator Computers and Chemistry. 2: 143-147. DOI: 10.1016/0097-8485(78)85007-4  1
1978 Detar DF. Calculator least squares evaluation of k for the second order rate equation Computers and Chemistry. 2: 43-45. DOI: 10.1016/0097-8485(78)80010-2  1
1978 Detar DF. Calculator least squares evaluation of k for the first order rate equation Computers and Chemistry. 2: 39-41. DOI: 10.1016/0097-8485(78)80009-6  1
1978 DeTar DF, Brooks W. Cyclization and polymerization of ω-(bromoalkyl)dimethylamines Journal of Organic Chemistry. 43: 2245-2248.  1
1977 DeTar DF, Luthra NP. Conformations of proline Journal of the American Chemical Society. 99: 1232-1244. PMID 833398 DOI: 10.1021/Ja00446A040  1
1977 DeTar DF. Molmec, a general approach to molecular mechanics computations Computers and Chemistry. 1: 141-144. DOI: 10.1016/0097-8485(77)85002-X  1
1977 DeTar DF. Introduction to the symposium in print on molecular mechanics Computers and Chemistry. 1: 139-140. DOI: 10.1016/0097-8485(77)85001-8  1
1977 DeTar DF. Utility subroutines Computers and Chemistry. 1: 135. DOI: 10.1016/0097-8485(77)80014-4  1
1977 DeTar DF. Algorithms based on solid analytical geometry Computers and Chemistry. 1: 129-134. DOI: 10.1016/0097-8485(77)80013-2  1
1977 DeTar DF. Data base for force fields and for molecular unit definitions Computers and Chemistry. 1: 115-119. DOI: 10.1016/0097-8485(77)80010-7  1
1976 DeTar DF, Tenpas CJ. Theoretical calculation of steric effects in ester hydrolysis Journal of the American Chemical Society. 98: 7903-7908. DOI: 10.1021/Ja00441A003  1
1976 DeTar DF, Tenpas CJ. Calculations of steric hindrance in ester hydrolysis based on estimation of van der Waals strain energies of alkanes Journal of the American Chemical Society. 98: 4567-4571. DOI: 10.1021/Ja00431A039  1
1976 DeTar DF. Evaluation of conformational energy populations of alkanes Computers and Chemistry. 1: 35-43. DOI: 10.1016/0097-8485(76)80009-5  1
1976 DeTar DF, Tenpas CJ. Estimations of van der Waals strain in hydrocarbons Journal of Organic Chemistry. 41: 2009-2013.  1
1974 DeTar DF. Quantitative predictions of steric acceleration [29] Journal of the American Chemical Society. 96: 1255-1256.  1
1974 DeTar DF. Calculation of steric effects in reactions [28] Journal of the American Chemical Society. 96: 1254-1255.  1
1974 DeTar DF, Coates DM. Unusual catalytic activity of thiophenoxide ions [21] Journal of the American Chemical Society. 96: 942-943.  1
1972 DeTar DF, Albers RJ, Gilmore F. Synthesis of sequence peptide polymers related to collagen. The Journal of Organic Chemistry. 37: 4377-80. PMID 4642610  1
1970 DeTar DF, Novak RW. Carboxylic acid-amine equilibria in nonaqueous solvents Journal of the American Chemical Society. 92: 1361-1365. DOI: 10.1021/Ja00708A042  1
1969 DeTar DF. Suggested preliminary standards for calibration of optical rotatory dispersion and circular dichroism instruments Analytical Chemistry. 41: 1406-1408.  1
1968 Detar DF, Novak R. Proton tunnelling in acid-base systems in nonaqueous solvents Chemical Communications (London). 317-318. DOI: 10.1039/C19680000317  1
1967 DeTar DF, Rogers FF, Bach H. Sequence peptide polymers. 3. Poly Asp(OH)-Ser(H)-Gly and other serine-containing polymers. Journal of the American Chemical Society. 89: 3039-45. PMID 6043816 DOI: 10.1021/Ja00988A043  0.01
1967 DeTar DF, Vajda T. Sequence peptide polymers. II. Poly Glu(OH)-Gly, poly Glu(OH)-Ser(H)-Gly, and their benzyl esters. Journal of the American Chemical Society. 89: 998-1004. PMID 6037021 DOI: 10.1021/Ja00980A043  1
1967 DeTar DF, Gouge M, Honsberg W, Honsberg U. Sequence peptide polymers. I. Polymers based on aspartic acid and glycine. Journal of the American Chemical Society. 89: 988-98. PMID 6037020 DOI: 10.1021/Ja00980A042  1
1967 DeTar DF. A theoretical study of the elementary steps involved in the reaction of benzoyl peroxide with benzene Journal of the American Chemical Society. 89: 4058-4068. DOI: 10.1021/Ja00992A019  1
1967 DeTar DF, Long RAJ, Rendleman J, Bradley J, Duncan P. A quantitative product study and a critical evaluation of the thermal decomposition of benzoyl peroxide in benzene Journal of the American Chemical Society. 89: 4051-4057. DOI: 10.1021/Ja00992A018  1
1967 DeTar DF, Rogers FF, Bach H. Sequence peptide polymers. III. Poly Asp(OH)-Ser(H)-Gly and other serine-containing polymers Journal of the American Chemical Society. 89: 3039-3045.  1
1967 DeTar DF. A computer program for making steady state calculations: Notes on effective programming techniques Journal of Chemical Education. 44: 193-199.  1
1967 DeTar DF. Simplified computer programs for treating complex reaction mechanisms Journal of Chemical Education. 44: 191-193.  1
1967 DeTar DF. Significant figures and correlation of parameters Journal of Chemical Education. 44: 759-761.  1
1966 Detar DF. The calculation of parameters of the Moffitt equation for rotatory dispersion data. Biophysical Journal. 6: 505-12. PMID 19210973 DOI: 10.1016/S0006-3495(66)86672-9  1
1966 DeTar DF, Silverstein R, Rogers FF. Reactions of carbodiimides. III. The reactions of carbodiimides with peptide acids Journal of the American Chemical Society. 88: 1024-1030. DOI: 10.1021/Ja00957A029  1
1966 DeTar DF, Silverstein R. Reactions of carbodiimides. II. The reactions of dicyclohexylcarbodiimide with carboxylic acids in the presence of amines and phenols Journal of the American Chemical Society. 88: 1020-1023. DOI: 10.1021/Ja00957A028  1
1966 DeTar DF, Silverstein R. Reactions of carbodiimides. I. The mechanisms of the reactions of acetic acid with dicyclohexylcarbodiimide Journal of the American Chemical Society. 88: 1013-1019. DOI: 10.1021/Ja00957A027  1
1966 DeTar DF, Estrin NF. An optically pure sequence peptide, Poly.Gly.Gly.Phe. Tetrahedron Letters. 7: 5985-5989.  1
1966 Detar DF. Computer techniques for making beer's law calculations of concentrations from spectral data [18] Analytical Chemistry. 38: 1794-1796.  1
1966 Detar DF, Detar CE. General computer techniques for evaluating the time-concentration relationships predicted by reaction mechanisms, including complex enzyme mechanisms Journal of Physical Chemistry. 70: 3842-3847.  1
1966 DeTar DF, Day VM. The use of the first-order rate equation in treating kinetic data Journal of Physical Chemistry. 70: 495-500.  1
1963 DeTar DF, Honsberg W, Honsberg U, Wieland A, Gouge M, Bach H, Tahara A, Brinigar WS, Rogers FF. Synthesis of Peptide Polymers with Repeating Sequences Journal of the American Chemical Society. 85: 2873-2874. DOI: 10.1021/Ja00901A062  1
1963 DeTar DF, Honsberg W, Honsberg U, Wieland A, Gouge M, Bach H, Tahara A, Brinigar WS, Rogers FF. Synthesis of peptide polymers with repeating sequences [25] Journal of the American Chemical Society. 85: 2873-2874.  1
1960 Detar DF. The reactivity of the 1-hexyl radical in abstracting hydrogen and halogen atoms Journal of American Chemical Society. 82: 5839-5846. DOI: 10.1021/Ja01507A019  1
1960 DeTar DF, Chu CC. Intramolecular free radical arylation and related reactions Journal of the American Chemical Society. 82: 4969-4974. DOI: 10.1021/Ja01503A054  1
1959 DeTar DF, Lamb RC. Diacyl peroxide reactions. V. Simultaneous rupture of two or three bonds in the initial cleavage of δ-phenylvaleryl peroxide Journal of the American Chemical Society. 81: 122-126. DOI: 10.1021/Ja01510A027  1
1959 DeTar DF, Westheimer FH. The role of thiamin in carboxylase Journal of the American Chemical Society. 81: 175-178.  1
1958 DeTar DF, Kosuge T. Mechanisms of diazonium salt reactions. VI. The reactions of diazonium salts with alcohols under acidic conditions ; Evidence for hydride transfer Journal of the American Chemical Society. 80: 6072-6077. DOI: 10.1021/Ja01555A044  1
1958 DeTar DF, Long RAJ. New products from the reaction of benzoyl peroxide with benzene [5] Journal of the American Chemical Society. 80: 4742-4743.  1
1957 DeTar DF, Weis C. Diacyl peroxide reactions. III. The behavior of the optically active 3-phenyl-2-propyl free radical Journal of the American Chemical Society. 79: 3045-3049. DOI: 10.1021/Ja01569A016  1
1957 DeTar DF, Weis C. Diacyl peroxide reactions. II. The reaction of δ-phenylvaleryl peroxide with carbon tetrachloride Journal of the American Chemical Society. 79: 3041-3044. DOI: 10.1021/Ja01569A015  1
1957 DeTar DF, Whiteley TE. Intramolecular reactions. V. Factors affecting the yield in diazonium cyclization reactions Journal of the American Chemical Society. 79: 2498-2502. DOI: 10.1021/Ja01567A039  1
1956 Detar DF, Relyea DI. Intramolecular reactions. IV. Chain transfer reaction involving an aromatic hydrogen atom and related reactions of 2-(4′-methylbenzoyl)-benzenediazonium salts Journal of the American Chemical Society. 78: 4302-4305. DOI: 10.1021/Ja01598A032  1
1956 Detar DF, Weis C. The products of the thermal decomposition of bis-δ-phenylvaleryl peroxide in carbon tetrachloride and in benzene Journal of the American Chemical Society. 78: 4296-4301. DOI: 10.1021/Ja01598A031  1
1956 Detar DF, Turetzky MN. The mechanisms of diazonium salt reactions. V. A kinetic study of the reactions of benzenediazonium fluoborate with methanol in the presence of oxygen Journal of the American Chemical Society. 78: 3928-3932. DOI: 10.1021/Ja01597A018  1
1956 Detar DF, Kwong S. The mechanism of diazonium salt reactions. III. The kinetics of the thermal decomposition of α- and β-naphthalenediazonium fluoborates in aqueous solution Journal of the American Chemical Society. 78: 3921-3925. DOI: 10.1021/Ja01597A016  1
1956 Detar DF, Ballentine AR. The mechanisms of diazonium salt reactions. II. A redetermination of the rates of the thermal decomposition of six diazonium salts in aqueous solution Journal of the American Chemical Society. 78: 3916-3920. DOI: 10.1021/Ja01597A015  1
1956 Detar DF. The precise manometric determination of rate data Journal of the American Chemical Society. 78: 3911-3915. DOI: 10.1021/Ja01597A014  1
1956 Detar DF, Carpino LA. The preparation of and the spectral characteristics of some 2-substituted cis- and trans-stilbenes Journal of the American Chemical Society. 78: 475-479. DOI: 10.1021/Ja01583A061  1
1956 Detar DF, Turetzky MN. The mechanisms of diazonium salt reactions. IV. A kinetic study of the reactions of benzenediazonium fluoborate with methanol in the absence of oxygen Journal of the American Chemical Society. 78: 3925-3928.  1
1955 DeTar DF, Carpino LA. A new method for the preparation of diacyl peroxides Journal of the American Chemical Society. 77: 6370-6371. DOI: 10.1021/Ja01628A089  1
1955 DeTar DF, Hlynsky A. The thermal decomposition of 2-phenoxybenzoyl peroxide Journal of the American Chemical Society. 77: 4411-4412. DOI: 10.1021/Ja01621A070  1
1955 DeTar DF, Chu YW. The preparation of cis-2-chlorostilbene and its reaction with lithium Journal of the American Chemical Society. 77: 4410-4411. DOI: 10.1021/Ja01621A069  1
1955 DeTar DF, Howard JC. Some reactions of an optically active diazonium salt and of an optically active diacyl peroxide Journal of the American Chemical Society. 77: 4393-4398. DOI: 10.1021/Ja01621A061  1
1955 Detar DF, Kazimi AA. Dinitrobiphenyls obtained by the gomberg-bachmann reaction: A quantitative study Journal of the American Chemical Society. 77: 3842-3844. DOI: 10.1021/Ja01619A048  1
1955 DeTar DF. Methods of obtaining rate constants for reactions of half order and of mixed half plus first order followed manometrically Journal of the American Chemical Society. 77: 2013-2015. DOI: 10.1021/Ja01612A092  1
1955 DeTar DF, Turetzky MN. The mechanisms of diazonium salt reactions. I. The products of the reactions of benzenediazonium salts with methanol Journal of the American Chemical Society. 77: 1745-1750. DOI: 10.1021/Ja01612A008  1
1954 DeTar DF, Chu YW. Intramolecular reactions. III. Reactions of diazotized cis- and trans-2-aminostilbene Journal of the American Chemical Society. 76: 1686-1688. DOI: 10.1021/Ja01635A067  1
1954 DeTar DF, Relyea DI. Intramolecular reactions. II. The mechanism of the cyclization of diazotized 2-aminobenzophenones Journal of the American Chemical Society. 76: 1680-1685. DOI: 10.1021/Ja01635A066  1
1954 Relyea DI, Detar DF. A new type of chain transfer reaction [5] Journal of the American Chemical Society. 76: 1202.  1
1953 DeTar DF, Cain CK, Meeks BS. Spectrophotometric determination of the lonization constants of pteridine, 2-aminopteridine and 4-aminopteridine Journal of the American Chemical Society. 75: 5118-5119. DOI: 10.1021/Ja01116A505  1
1953 DeTar DF, Savat CS. Reactions of N-nitroso-2-acetamidobenzophenone Journal of the American Chemical Society. 75: 5117-5118. DOI: 10.1021/Ja01116A504  1
1953 DeTar DF, Savat CS. N-nitrosoacetanilide as polymerization initiator Journal of the American Chemical Society. 75: 5116-5117. DOI: 10.1021/Ja01116A503  1
1951 Detar DF. The mechanism of the reaction of N-nitrosoacetanilide with methanol Journal of the American Chemical Society. 73: 1446-1449. DOI: 10.1021/Ja01148A013  1
1951 Detar DF, Scheifele HJ. A quantitative study of the orienting influence of the nitro group in the formation of nitrobiphenyls by reaction of nitrobenzene with N-nitrosoacetanilide, with benzoyl peroxide, and with benzenediazonium chloride and alkali Journal of the American Chemical Society. 73: 1442-1445. DOI: 10.1021/Ja01148A012  1
1950 Detar DF, Broderick E, Foster G, Hilton BD. Attempted rearrangement of 9-bromomethylenefluorene into 9-bromophenanthrene Journal of the American Chemical Society. 72: 2183-2184. DOI: 10.1021/Ja01161A086  1
1950 DeTar DF. The formation of biphenyl in the decomposition of benzoyl peroxide in nitrobenzene Journal of the American Chemical Society. 72: 1028. DOI: 10.1021/Ja01158A508  1
1950 DeTar DF, Sagmanli SV. The mechanism of the cyclization reaction in the decomposition of diazonium salts Journal of the American Chemical Society. 72: 965-969. DOI: 10.1021/Ja01158A083  1
1947 Marvel CS, Prill EJ, Detar DF. Vinyl polymers. XXIV. The reaction of benzoyl peroxide and maleic ester Journal of the American Chemical Society. 69: 52-58.  1
1946 Carmack M, Detar DF. The Willgerodt and Kindler reactions. III. Amides from acetylenes and olefins; studies relating to the reaction mechanisms Journal of the American Chemical Society. 68: 2029-2033. DOI: 10.1021/Ja01214A048  1
1946 Detar DF, Carmack M. The Willgerodt reaction. II. A study of reaction conditions with acetophenone and other ketones Journal of the American Chemical Society. 68: 2025-2029. DOI: 10.1021/Ja01214A047  1
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