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Classical conformational analysis of strained organic molecules. I. [ l, m, n]Propellanes with l, m, n equal to 2, 3, and 4.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 571, doi. 10.1002/jcc.540050610
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- Article
Critical comparison of the ab initio and spectroscopic methyl-CH bond length difference in acetyl compounds, CH<sub>3</sub>C(O) X.
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- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 517, doi. 10.1002/jcc.540050603
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- Article
MNDO Study of reaction pathways for S<sub>N</sub>2 reactions. Menschutkin reaction potential energy surfaces.
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- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 598, doi. 10.1002/jcc.540050614
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- Article
Conformational analysis by scaled energy embedding.
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- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 548, doi. 10.1002/jcc.540050607
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- Article
Application of an ion-fitted pseudopotential to HF, H<sub>2</sub>O, NH<sub>3</sub>, BeO, and HCl in a Gaussian lobe basis.
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- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 640, doi. 10.1002/jcc.540050618
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- Article
A study of the biologically active conformers for prodine opiates and their derivatives.
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- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 507, doi. 10.1002/jcc.540050602
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- Article
Analytical MCSCF energy gradients: Treatment of symmetry and CASSCF applications to propadienone.
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- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 589, doi. 10.1002/jcc.540050613
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- Article
Ab initio calculations of the electronic structure of helical polymers.
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- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 535, doi. 10.1002/jcc.540050606
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- Article
Unique description of chemical structures based on hierarchically ordered extended connectivities ( HOC procedures). V.
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- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 629, doi. 10.1002/jcc.540050617
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- Article
Masthead.
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- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. fmi, doi. 10.1002/jcc.540050601
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- Article
Discrimination of isomeric structures using information theoretic topological indices.
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- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 581, doi. 10.1002/jcc.540050612
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- Article
The ground state potential energy surface of methyl fluoride dimer.
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- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 528, doi. 10.1002/jcc.540050605
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- Article
Substituent effects in second-row molecules: Basis set performance in calculations of normal valency phosphorus and sulfur compounds.
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- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 612, doi. 10.1002/jcc.540050616
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- Article
Approaches to charge calculations in molecular mechanics. 2.
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- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 562, doi. 10.1002/jcc.540050609
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- Article
On the diatomic vibration-rotation eigenvalue equation: Highly accurate results for high levels.
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- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 576, doi. 10.1002/jcc.540050611
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- Article
Generic solvent sites in a crystal.
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- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 523, doi. 10.1002/jcc.540050604
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- Article
A MINDO/3 study of the hetero-Diels-Alder reaction.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 606, doi. 10.1002/jcc.540050615
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- Article
A unified treatment of valence and bond order from density operators.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 6, p. 555, doi. 10.1002/jcc.540050608
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- Article