Works matching IS 01928651 AND DT 1983 AND VI 4 AND IP 4
Results: 21
A theoretical study of α-substituted isopropyl and cyclopropyl anions.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 513, doi. 10.1002/jcc.540040410
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The 1984 Florida Coast Sanibel symposium Sheraton Palm Coast resort inn, Florida March 1-15, 1984.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 606, doi. 10.1002/jcc.540040421
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- Article
Theoretical conformational analysis of the Gramicidin a transmembrane channel. I. Helix sense and energetics of head-to-head dimerization.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 461, doi. 10.1002/jcc.540040403
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Counting of resonance structures for large benzenoid polynuclear hydrocarbons.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 556, doi. 10.1002/jcc.540040414
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Ab initio studies of structural features not easily amenable to experiment. 25. Conformational analysis of methyl propanoate and comparison with the methyl ester of glycine.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 494, doi. 10.1002/jcc.540040407
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Operator technique for obtaining the recursion formulas of characteristic and matching polynomials as applied to polyhex graphs.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 585, doi. 10.1002/jcc.540040418
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Molecular mechanics, by Ulrich Burkert and Norman L. Allinger, published by the American Chemical Society, 1982. 339 pages, $64.95.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 605, doi. 10.1002/jcc.540040420
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Ab initio study of catalyzed and uncatalyzed amide bond formation as a model for peptide bond formation: Ammonia-Glycine reactions.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 449, doi. 10.1002/jcc.540040402
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Faster finite-difference calculations of molecular properties.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 552, doi. 10.1002/jcc.540040413
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Reaction path calculations for the interaction of the ethylene radical cation with triplet oxygen.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 488, doi. 10.1002/jcc.540040406
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Extended basis CNDO calculations of linear and nonlinear electric susceptibilities of some molecular dianions and carbonions using coupled Hartree-Fock perturbation theory.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 578, doi. 10.1002/jcc.540040417
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Masthead.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. fmi, doi. 10.1002/jcc.540040401
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- Article
Ground states of molecules. 64.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 542, doi. 10.1002/jcc.540040412
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The propagation of basis-set error and geometry optimization in ab initio calculations. II. Correlation between the balance of Gaussian basis sets and calculated molecular properties.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 482, doi. 10.1002/jcc.540040405
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Ab initio evaluation of absorption and emission transitions for molecular solutes, including separate consideration of orientational and inductive solvent effects.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 567, doi. 10.1002/jcc.540040416
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Guidelines for development of basis sets for the first-order intermolecular interaction energy calculations.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 506, doi. 10.1002/jcc.540040409
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Determination and characterization of a transition structure for water-formaldehyde addition.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 524, doi. 10.1002/jcc.540040411
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Calculations on the diphenylmethyl anion.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 470, doi. 10.1002/jcc.540040404
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- Article
Orbital relaxation in the Rydberg series of the lithium atom. An excited state SCF calculation.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 563, doi. 10.1002/jcc.540040415
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- Article
A method for the calculation of normal-mode vibrational frequencies using symmetry coordinates. Application to the calculation of secondary deuterium isotope effects on carbocations.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 499, doi. 10.1002/jcc.540040408
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MNDO calculations of proton and methyl-and ethyl-cation affinities of neutral carbon, nitrogen, and oxygen bases.
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- Journal of Computational Chemistry, 1983, v. 4, n. 4, p. 594, doi. 10.1002/jcc.540040419
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