Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 32
Results: 7
Interplay between Tetrel and Triel Bonds in RC<sub>6</sub>H<sub>4</sub>CN...MF<sub>3</sub>CN...BX<sub>3</sub> Complexes: A Combined Symmetry-Adapted Perturbation Theory, Møller-Plesset, and Quantum Theory of Atoms-in-Molecules Study.
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- Journal of Computational Chemistry, 2015, v. 36, n. 32, p. 2412, doi. 10.1002/jcc.24226
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- Article
Erratum: Properties of Atoms in Electronically Excited Molecules Within the Formalism of TDDFT [J. ComputChem. 2014, 35, 820-828].
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- Journal of Computational Chemistry, 2015, v. 36, n. 32, p. 2429, doi. 10.1002/jcc.24224
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- Article
Statistical Investigation of Surface Bound Ions and Further Development of BION Server to Include pH and Salt Dependence.
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- Journal of Computational Chemistry, 2015, v. 36, n. 32, p. 2381, doi. 10.1002/jcc.24218
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- Article
Comparison of the Accuracy of Periodic Reaction Field Methods in Molecular Dynamics Simulations of a Model Liquid Crystal System.
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- Journal of Computational Chemistry, 2015, v. 36, n. 32, p. 2406, doi. 10.1002/jcc.24222
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- Article
A CASSCF/CASPT2 Insight into Excited-State Intramolecular Proton Transfer of Four Imidazole Derivatives.
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- Journal of Computational Chemistry, 2015, v. 36, n. 32, p. 2374, doi. 10.1002/jcc.24216
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- Article
Treatment of Delocalized Electron Transfer in Periodic and Embedded Cluster DFT Calculations: The Case of Cu on ZnO (1010).
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- Journal of Computational Chemistry, 2015, v. 36, n. 32, p. 2394, doi. 10.1002/jcc.24219
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- Article
Prediction of Conformationally Dependent Atomic Multipole Moments in Carbohydrates.
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- Journal of Computational Chemistry, 2015, v. 36, n. 32, p. 2361, doi. 10.1002/jcc.24215
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- Article