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Allinger, N.L.

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113 matching references were found.

Allinger, N.L.; Wuesthoff, M.T., J. Org. Chem., 1971, 36, 2051. [all data]

Tribble, M.T.; Allinger, N.L., Tetrahedron, 1972, 28, 2147. [all data]

Allinger, N.L.; Meyer, A.Y., Tetrahedron, 1975, 31, 1897. [all data]

Allinger, N.L., Adv. Phys. Org. Chem., 1976, 13, 1. [all data]

Rogers, D.W.; Dagdagan, O.A.; Allinger, N.L., J. Am. Chem. Soc., 1979, 101, 671. [all data]

Rogers, D.W.; Choi, L.S.; Girellini, R.S.; Holmes, T.J.; Allinger, N.L., J. Phys. Chem., 1980, 84, 1810. [all data]

Allinger, N.L.; Glaser, J.A.; Davis, H.E.; Rogers, D.W., J. Org. Chem., 1981, 46, 658. [all data]

Allinger, N.L.; Dodziuk, H.; Rogers, D.W.; Naik, S.N., Tetrahedron, 1982, 38, 1593. [all data]

Davis, H.E.; Allinger, N.L.; Rogers, D.W., J. Org. Chem., 1985, 50, 3601. [all data]

Allinger, N.L.; Coke, J.L., The relative stabilities of cis and trans isomers. VII. The hydrindanes, J. Am. Chem. Soc., 1960, 82, 2553-2556. [all data]

Allinger, N.L.; Blatter, H.M., Conformational analysis. SVI. The energy of the boat form of cyclohexanone. Direct measurements of 2-alkyl ketone effects, J. Am. Chem. Soc., 1961, 83, 994-995. [all data]

Allinger, N.L.; Karkowski, F.M., The energy of the boat form of a simple cyclohexanone, Tetrahedron Lett., 1965, 2171-2174. [all data]

Allinger, N.L.; Wuesthoff, M.T., Conformational analysis. LXXIII. The perhydroanthracenes. An equilibration study, J. Org. Chem., 1971, 36, 2051-2053. [all data]

Allinger, N.L.; Siefert, J.H., Conformational analysis. LXXXVI. The equilibrium between the cis and trans isomers of 2-decalone, J. Am. Chem. Soc., 1972, 94, 8082-8084. [all data]

Allinger, N.L.; Sprague, J.T., Conformational analysis. 84. Study of the structures and energies of some alkenes and cycloalkenes by the force field method, J. Am. Chem. Soc., 1972, 94, 5734-57. [all data]

Allinger, N.L.; Pamphilis, N.A., Conformational analysis. 89. Sterochemical studies of some dimethylated six- and seven-membered-ring hydrocarbons, J. Org. Chem., 1973, 38, 316-319. [all data]

Allinger, N.L.; Lane, G.A.; Wang, G.L., Conformational analysis. XCIX. The 1-decalone ring system, J. Org. Chem., 1974, 39, 704-708. [all data]

Allinger, N.L.; Meyer, A.Y., Conformational analysis. CIX. Applications of molecular mechanics to the structures and energies of alkynes, Tetrahedron, 1975, 31, 1807-18. [all data]

Rogers, D.W.; Von Voithenberg, H.; Allinger, N.L., Heats of hydrogenation of the cis and trans isomers of cyclooctene, J. Org. Chem., 1978, 43, 360-361. [all data]

Rogers, D.W.; Dagdagan, O.A.; Allinger, N.L., Heats of hydrogenation and formation of linear alkynes and a molecular mechanics interpretation, J. Am. Chem. Soc., 1979, 101, 671-676. [all data]

Allinger, N.L.; Glaser, J.A.; Davis, H.E., Heats of hydrogenation of some vinyl ethers and related compounds, J. Org. Chem., 1981, 46, 658-661. [all data]

Allinger, N.L.; Dodziuk, H.; Rogers, D.W.; Naik, S.N., Heats of hydrogenation and formation of some 5-membered ring compounds by molecular mechanics calculations and direct measurements, Tetrahedron, 1982, 38, 1593-1597. [all data]

Davis, H.E.; Allinger, N.L.; Rogers, D.W., Enthalpies of hydrogenation of phenylalkynes: indirect determination of the enthalpy of formation of diphenylcyclopropenone, J. Org. Chem., 1985, 50, 3601-3604. [all data]

Honig, H.; Allinger, N.L., The stereoisomers of perhydrophenanthrene, J. Org. Chem., 1985, 50, 4630-4632. [all data]

Aped, P.; Allinger, N.L., A molecular mechanics study of cyclopropanes within the MM2 and MM3 force fields, J. Am. Chem. Soc., 1990, 114, 1-16. [all data]

Allinger, N.L.; Chen, K.; Rahman, M.; Pathiaseril, A., Molecular mechanics (MM3) calculations on aldehydes and ketones, J. Am. Chem. Soc., 1991, 113, 4505-4517. [all data]

Allinger, N.L.; Coke, J.L., Relative stabilities of cis and trans isomers. XI. The 9-methyldecalins, 1961, 2096-2097. [all data]

Rodgers, D.W.; Dagdagan, O.A.; Allinger, N.L., Heat of Hydrogenation and Formation of LInear Alkynes and a Molecular Mechanics Interpretation., J. Am. Chem. Soc., 1979, 101, 3, 671, https://doi.org/10.1021/ja00497a031 . [all data]

Rodgers, D.W.; Choi, L.S.; Girellini, R.S.; Holmes, T.J.; Allinger, N.L., Heat of Hydrogenation and Formation of Quadricyclane, Norbornadiene, Norbornene, and Nortricyclene., J. Phys. Chem., 1980, 84, 14, 1810, https://doi.org/10.1021/j100451a014 . [all data]

Allinger, N.L.; Liang, C.D., Confomation analysis. LVI. Chlorocyclohexane and 1-chloro-1- methylcyclohexane, J. Org. Chem., 1967, 32, 2391. [all data]

Allinger, N.L.; Miller, M.A.; Van-Catledge, F.A.; Hirsch, J.A., J. Am. Chem. Soc., 1967, 89, 4345. [all data]

Tai, J.C.; Allinger, N.L., J. Am. Chem. Soc., 1966, 88, 2179. [all data]

Allinger, N.L.; Zhu, Z.S.; Chen, K., J. Am. Chem. Soc., 1992, 114, 6120-33. [all data]

Philip, T.; Cook, R.L.; Malloy, T.B.; Allinger, N.L.; Chang, S.; Yuh, Y., Molecular Mechanics Calculations and Experimental Studies of Conformations of δ-Valerolactone, J. Am. Chem. Soc., 1981, 103, 2151. [all data]

Allinger, N.L., Pure Appl. Chem., 1982, 54, 2515-22. [all data]

Liu, R.; Allinger, N.L., Molecular Mechanics (MM3) Calculations on Alkyl Radicals, J. Comput. Chem., 1994, 15, 283-99. [all data]

Allinger, N.L.; Schmitz, L.R.; Motoc, I.; Bender, C.; Labanowski, J.K., Heats of Formation of Organic Molecules by Ab Initio Calculations: Carboxylic Acids and Esters, J. Comp. Chem., 1992, 13, 838-41. [all data]

Allinger, N.L.; Blatter, H.M.; Freiberg, L.A.; Karkowski, F.M., Confomational Analysis. LI. The confomation of cyclohexanone rings in simple molecules, J. Am. Chem. Soc., 1966, 88, 2999. [all data]

Allinger, N.L.; Freiberg, L.A., Confomation analysis. XLVI. The confomation energies of the simple alkye groups., J. Org. Chem., 1966, 31, 894. [all data]

Eliel, E.L.; Allinger, N.L.; Angyal, S.J.; Morris, G.A., Conformational Analysis, Wiley-Interscience, New York, 1965. [all data]

Allinger, N.L.; Karkowski, F.M., Tetrahedron Lett., 1965, 1965, 2171. [all data]

Allinger, N.L.; Tushaus, L.A., J. Org. Chem., 1965, 30, 1945. [all data]

Allinger, N.L.; DaRooge, M.A., Conformational analysis: XXXII The conformation of ring a in 2,2- and 4,4- dimethyl-3-ketosteroids, J. Am. Chem. Soc., 1962, 84, 4561. [all data]

Allinger, N.L.; Allinger, J.; Freiberg, L.A.; Czaja, R.F.; Lebel, N.A., Conformational analysis: xi the conformers of 2-chlorocyclohexanone, J. Am. Chem. Soc., 1960, 82, 5876. [all data]

Allinger, N.L.; Allinger, J.; Lebel, N.A., Conformational analysis: VIII. The dipole moments of cis- and trans-2-bromo- 4-t-butylcyclohexanone, J. Am. Chem. Soc., 1960, 82, 2926. [all data]

Allinger, N.L.; Freiberg, L.A., Conformational analysis. 10. The energy of the boat form of the cyclohexane ring, J. Am. Chem. Soc., 1960, 82, 2393-2394. [all data]

Allinger, N.L., The Relative Stabilities of cis and trans Isomers. IV The 3,5-Dimethylcycloheptanones, J. Am. Chem. Soc., 1959, 81, 232-6. [all data]

Allinger, N.L.; Coke, J.L., The relative stabilities of cis and trans isomers. 6. The decalins, J. Am. Chem. Soc., 1959, 81, 4080-4082. [all data]

Allinger, N.L.; Greenberg, S., Conformational Analysis. IV. The Conformations of the Cyclootanone Ring, J. Am. Chem. Soc., 1959, 81, 5733. [all data]

Allinger, N.L., On the molecular geometry of trans-cyclooctene, J. Am. Chem. Soc., 1958, 80, 1953. [all data]

Allinger, N.L., The relative stabilities of cis and trans isomers: III the cyclodecenes, J. Am. Chem. Soc., 1957, 79, 3443. [all data]

Cram, D.J.; Allinger, N.L., Macro Rings XIII. Synthesis and Properties of 1,7-Cyclododecadiyne and Related Compounds, J. Am. Chem. Soc., 1956, 78, 2518-24. [all data]

Cram, D.J.; Allinger, N.L., J. Am. Chem. Soc., 1955, 77, 6289. [all data]

Cram, D.J.; Allinger, N.L.; Steinberg, H., J. Am. Chem. Soc., 1954, 76, 6132. [all data]

Allinger, N.L.; Cram, D.J., J. Am. Chem. Soc., 1954, 76, 2362. [all data]

Cason, J.; Allinger, N.L.; Summrell, G.; Williams, D.E., Branched-chain Fatty Acids XVII. Synthesis of Two Trimethylalkanoic Acids Certain Relationships of Boiling POint and Index of Refraction to Structure, J. Org. Chem., 1951, 16, 1170-6. [all data]

Tai, J.C.; Lii, J.-H.; Allinger, N.L., A molecular mechanics (MM2) study of furan, thiphene, and related compounds, J. Comput. Chem., 1989, 10, 635-47. [all data]

Liedle, S.; Mack, H.G.; Oberhammer, H.; Imam, M.R.; Allinger, N.L., Gas-phase structures of di-tert-butyl ether and tert-butyl methyl ether, J. Mol. Struct., 1989, 198, 1. [all data]

Lii, J.-H.; Allinger, N.L., Molecular mechanics. The MM3 force field for hydrocarbons. 2. Vibrational frequencies and thermodynamics, J. Am. Chem. Soc., 1989, 111, 8566. [all data]

Lii, J.-H.; Allinger, N.L., Molecular mechanics. The MM3 force field for hydrocarbons. 3. Th van der Waals' potentials and crystal data for aliphatic and aromatic hydrocarbons, J. Am. Chem. Soc., 1989, 111, 8576. [all data]

Goldstein, E.; Allinger, N.L., J. Mol. Struct., 1989, 188, 149. [all data]

Allinger, N.L.; Yuh, Y.H.; Lii, J.-H., Molecular mechanics. The MM3 force field for hydrocarbons. 1, J. Am. Chem. Soc., 1989, 111, 8551. [all data]

Schmitz, L.R.; Allinger, N.L.; Profeta, S., Rotation around the C1-C2 bond of propylamine, an ab initio study, J. Comput. Chem., 1988, 9, 460. [all data]

Siam, K.; Dorofeeva, O.V.; Mastryukov, V.S.; Ewbank, J.D.; Allinger, N.L.; Schafer, L., Ab initio conformational analysis and geometry optimization of cyclooctane and comparison with molecular mechanics results, THEOCHEM, 1988, 41, 93. [all data]

Ohsaku, M.; Allinger, N.L., Molecular structure and conformational stability of ethyl methyl disulfide: a model of cystine, J. Phys. Chem., 1988, 92, 4591. [all data]

Bowen, J.P.; Reddy, V.V.; Patterson, D.G.; Allinger, N.L., Molecular mechanics (MM2) parameters for divinyl ethers and aromatic halide derivatives, J. Org. Chem., 1988, 53, 5471-5475. [all data]

Profeta, S.; Allinger, N.L., Molecular mechanics calculations on aliphatic amines, J. Am. Chem. Soc., 1985, 107, 1907. [all data]

Dorofeeva, O.V.; Mastryukov, V.S.; Allinger, N.L., J. Phys. Chem., 1985, 89, 252. [all data]

Norskov-Lauritsen, L.; Allinger, N.L., A molecular mechanics treatment of the anomeric effect, J. Comput. Chem., 1984, 5, 326-335. [all data]

Allinger, N.L.; Yuh, Y.H., Pure Appl. Chem., 1983, 55, 191. [all data]

Dodziuk, H.; VonVoithenberg, H.; Allinger, N.L., A molecular mechanics study of methyl vinyl ether and related compounds, Tetrahedron, 1982, 38, 2811-2819. [all data]

Burket, U.; Allinger, N.L., Molecular Mechanics, ACS Monograph 177, Am. Chem. Soc.: Washington, DC, 1982. [all data]

Rogers, D.W.; Choi, L.S.; Girellini, R.S.; Holmes, T.J.; Allinger, N.L., Heats of hydrogenation and formation of quadricyclene, norbornadiene, norbornene, and nortricyclene., J. Phys. Chem., 1980, 84, 1810-4. [all data]

Allinger, N.L.; Burkert, U.; Profeta, S., Ab Initio Calculations of the Rotational Potential Functions for Propylamine and Ethylmethylamine, J. Comput. Chem., 1980, 1, 281. [all data]

Allinger, N.L.; Chang, S.H.M.; Glaser, D.H.; Hoenig, H., An improved molecular mechanics force field for alcohols and ethers, Isr. J. Chem., 1980, 20, 51. [all data]

Allinger, N.L., J. Am. Chem. Soc., 1977, 99, 8127. [all data]

Allinger, N.L.; Chang, S.H.M., Tetrahedron, 1977, 33, 1561-7. [all data]

Tai, J.C.; Allinger, N.L., J. Am. Chem. Soc., 1976, 98, 7928. [all data]

Allinger, N.L.; Chung, D.Y., Conformational Analysis. 118. Application of the Molecular-Mechanics Method to Alcohols and Ethers, J. Am. Chem. Soc., 1976, 98, 6798. [all data]

Allinger, N.L.; Viskocil, J.F.; Burkert, U.; Yuh, Y., Tetrahedron, 1976, 32, 33. [all data]

Meyer, A.Y.; Allinger, N.L., Conformational Analysis CX Applications of the Molecular Mechanics Method to Organic Halides, Tetrahedron, 1975, 31, 1971. [all data]

Allinger, N.L.; Hickey, M.J., Conformational ANalysis CVIII. Calculation of the Structure and Energies of Alkethiols and Thiaalkanes by the Molecular Mechanics Method, J. Am. Chem. Soc., 1975, 97, 5161. [all data]

Allinger, N.L.; Meyer, A.Y., The Structures and Energies of Alkynes, Tetrahodron, 1975, 1975, 31 1807-1811. [all data]

Allinger, N.L.; Sprague, J.T., Tetrahedron, 1975, 31, 21. [all data]

Wertz, D.H.; Allinger, N.L., Tetrahedron, 1974, 30, 1579. [all data]

Allinger, N.L.; Sprague, J.T., Calculation of the structures of hydrocarbons containing delocalized electronic systems by the molecular mechanics method, J. Am. Chem. Soc., 1973, 95, 3893. [all data]

Allinger, N.L.; Sprague, J.T., Tetrahedron, 1973, 29, 3811. [all data]

Allinger, N.L.; Sprague, J.T.; Finder, C.J., Tetrahedron, 1973, 29, 2519. [all data]

Allinger, N.L.; Sprague, J.T., J. Am. Chem. Soc., 1972, 94, 5734. [all data]

Allinger, N.L.; Tribble, M.T.; Miller, M.A., Tetrahedron, 1972, 28, 1173. [all data]

Allinger, N.L.; Gorden, B.J.; Tyminski, I.J.; Wuesthoff, M.T., J. Org. Chem., 1971, 36, 739. [all data]

Allinger, N.L.; Tribble, M.T.; Miller, M.A.; Wertz, D.H., J. Am. Chem. Soc., 1971, 93, 1637. [all data]

Allinger, N.L.; Hirsch, J.A.; Miller, M.A.; Tyminski, I.J., J. Am. Chem. Soc., 1968, 90, 5773. [all data]

Allinger, N.L.; Hirsch, J.A.; Miller, M.A.; Tyminski, I.J.; Van-Catledge, F.A., Conformational Analysis LX. Improved Calculations of the Structures and Energies of Hydrocarbons by the Westheimer Method, J. Am. Chem. Soc., 1968, 90, 1199-210. [all data]

Allinger, N.L.; Liang, C.D., Conformational Analysis LXIII. 1-Methylcyclohexanol System, J. Org. Chem., 1968, 33, 3319. [all data]

Allinger, N.L.; Maul, J.J., Tetrahedron, 1968, 24, 4257. [all data]

Allinger, N.L.; Szkrybalo, W.; Van-Catledge, F.A., Conformational analysis. LIX. The relative stabilities of the cis- and trans- dimethylcyclohexanes., J. Org. Chem., 1968, 33, 784. [all data]

Allinger, N.L.; Miller, M.N., Conformational Analysis. XVII. The 1,3-Diaxial Methyl-Methyl Interaction, J. Am. Chem. Soc., 1961, 83, 2145. [all data]

Allinger, N.L.; Hu, S., Conformational Analysis XXI. The Ethyl Group, J. Am. Chem. Soc., 1962, 84, 370-2. [all data]

Allinger, N.L.; Hu, S., J. Org. Chem., 1962, 27, 3417. [all data]

Allinger, N.L.; DaRooge, M.A., Conformational Analysis XX. The Configuration of the Acetyl Side Chain of Pregnane-20-one, J. Am. Chem. Soc., 1961, 83, 4256-8. [all data]

Allinger, N.L.; Freiberg, L.A., Conformational Analysis XXVIII. The 3-Alkylketone Effect, J. Am. Chem. Soc., 1962, 84, 2201-3. [all data]

Allinger, N.L.; Freiberg, L.A.; Hu, S., Conformational Analysis XXXL The Isopropyl Group, J. Am. Chem. Soc., 1962, 84, 2836-7. [all data]

Allinger, N.L.; Greenberg, S., Conformational Analysis XXVI. Some Stereochemical Studies of the Cyclooctane Ring, J. Am. Chem. Soc., 1962, 84, 2394-2402. [all data]

Allinger, N.L.; Szkrybalo, W., Conformational Analysis. XXX. The Cyano Group, J. Org. Chem., 1962, 27, 4601-3. [all data]

Allinger, N.L.; Jindal, S.P.; DaRooge, M.A., Conformational Analysis XXXIII. Conformation of the Cyclooctane Ring, J. Org. Chem., 1962, 27, 4290-3. [all data]

Allinger, N.L.; Allinger, J.; DaRooge, M.A.; Greenberg, S., Conformational Analysis XXXIV. The Phenyl Group, J. Org. Chem., 1962, 27, 4603-6. [all data]

Allinger, N.L.; DaRooge, M.A.; Miller, M.A.; Waegell, B., Conformational Analysis. XXXV. The COnfigurations and Coformations of Ring A in the 2-Fluoro-5α-androstane-3,17-diones, J. Org. Chem., 1963, 1963, 28. 780-3. [all data]

Allinger, N.L.; Conia, J.M.; Ripoll, J.L.; Tushaus, L.A.; Neuman, C.L., Conformational Analysis. XXXVI. Some Consequences of the Nonplanarity of Cyclobutane and Cyclopenanone Rings, J. Am. Chem. Soc., 1962, 84, 4982-3. [all data]

Allinger, N.L.; Freiberg, L.A.; Hermann, R.B.; Miller, M.A., The Molecular Structure and Electronic Spectrum of [8]Paracyclophane. A New Synthetic Method for the Preparation of Strained Large Rings, J. Am. Chem. Soc., 1963, 85, 1171-6. [all data]

Allinger, N.L.; Szkrybalo, W.; DaRooge, M.A., The Barrier to Inversion of Cyclooctatetraene. The Thermal Decomposition of Dibenzo[e,g][1,4]diazocine, J. Org. Chem., 1993, 28, 3007-10. [all data]

Cram, D.J.; Allinger, N.L., Macro Rings III. Synthesis and Properties of p,p-Tetramethylene-1,4-diphenylbutane, J. Am. Chem, Soc., 1954, 76, 726-31. [all data]

Allinger, N.L.; Hirsch, J.A.; Miller, M.A.; Tyminski, I.J., Conformational Analysis LXIV. Calculations of the Structure and Energies of Unsaaturated Hydrocarbons by the Westheimer Method, J. Am. Chem. Soc., 1969, 90, 5773-80. [all data]