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The interaction strengths and spectroscopy parameters of the C<sub>2</sub>H<sub>2</sub>∙∙∙HX and HCN∙∙∙HX complexes (X = F, Cl, CN, and CCH) and related ternary systems valued by fluxes of charge densities: QTAIM, CCFO, and NBO calculations.
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- Journal of Molecular Modeling, 2017, v. 23, n. 4, p. 1, doi. 10.1007/s00894-017-3270-7
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A comparative interplay between small heterorings and hypofluorous acids.
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- Journal of Molecular Modeling, 2015, v. 21, n. 11, p. 1, doi. 10.1007/s00894-015-2829-4
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The electronic mechanism ruling the dihydrogen bonds and halogen bonds in weakly bound systems of H<sub>3</sub>SiH···HOX and H<sub>3</sub>SiH···XOH (X = F, Cl, and Br)
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- Journal of Molecular Modeling, 2015, v. 21, n. 4, p. 1, doi. 10.1007/s00894-015-2616-2
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A computational study of hydrogen bonds in intermolecular systems of high complexity: arachno-pentaborane(11)···Y with Y = O<sub>2</sub> and N<sub>2</sub>.
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- Journal of Molecular Modeling, 2014, v. 20, n. 9, p. 1, doi. 10.1007/s00894-014-2403-5
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Comparisons between Crystallography Data and Theoretical Parameters and the Formation of Intramolecular Hydrogen Bonds: Benznidazole.
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- Crystals (2073-4352), 2016, v. 6, n. 5, p. 56, doi. 10.3390/cryst6050056
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Bonding topology, hydrogen bond strength, and vibrational chemical shifts on hetero-ring hydrogen-bonded complexes - Theoretical insights revisited.
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- Canadian Journal of Chemistry, 2012, v. 90, n. 4, p. 368, doi. 10.1139/v2012-009
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AGOA hydration clusters produce the solvation effect on the aziridine···hydrofluoric acid complex — A modern proposal.
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- Canadian Journal of Chemistry, 2010, v. 88, n. 4, p. 338, doi. 10.1139/V10-012
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A theoretical study of red-shifting and blue-shifting hydrogen bonds occurring between imidazolidine derivatives and PEG/PVP polymers.
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- Journal of Molecular Modeling, 2010, v. 16, n. 1, p. 119, doi. 10.1007/s00894-009-0525-y
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Cooperation of Peripheral Hydrogen Atoms for the Stabilization of Aachno-pentaborane (11) with Small Molecules: Hydrogen Bonds and Dihydrogen Bonds.
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- Orbital: The Electronic Journal of Chemistry, 2023, v. 15, n. 2, p. 67, doi. 10.17807/orbital.v15i2.16800
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The Interaction Strength, Frequency-shifts and Covalence of the C<sub>2</sub>H<sub>4</sub>O...HOCl and C<sub>2</sub>H<sub>5</sub>N...HOCl Heterocyclic Complexes.
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- Orbital: The Electronic Journal of Chemistry, 2017, v. 9, n. 2, p. 95, doi. 10.17807/orbital.v9i2.853
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Synthesis, anti-proliferative activity, theoretical and 1H NMR experimental studies of Morita–Baylis–Hillman adducts from isatin derivatives.
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- Molecular Diversity, 2020, v. 24, n. 1, p. 265, doi. 10.1007/s11030-019-09950-7
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The formation of hydride bonds in cationic complexes of nBeH<sub>2</sub>⋯mX with n = 1 or 2, m = 1 or 2 and X = Li<sup>+</sup> or Na<sup>+</sup>.
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- Journal of the Serbian Chemical Society, 2014, v. 79, n. 11, p. 1413, doi. 10.2298/JSC140213054O
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Theoretical study of cooperative effects in the homo- and heteromeric hydrogen bond chains (HCN)<sub>n</sub>&bond;HF with n = 1, 2, and 3.
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- International Journal of Quantum Chemistry, 2006, v. 106, n. 13, p. 2714, doi. 10.1002/qua.21132
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