Works matching IS 09743626 AND DT 2016 AND VI 128 AND IP 10
Results: 18
Role of Ti doping and Al and B vacancies in the dehydrogenation of Al(BH).
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1651, doi. 10.1007/s12039-016-1148-3
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Analysis of an unusual hetero-halogen bonded trimer using charge density analysis: A case of concerted type I Br ⋯Br and type II Br ⋯Cl interactions.
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1579, doi. 10.1007/s12039-016-1149-2
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A computational study on structure, stability and bonding in Noble Gas bound metal Nitrates, Sulfates and Carbonates (Metal = Cu, Ag, Au).
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1537, doi. 10.1007/s12039-016-1150-9
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Why are Hydrogen Bonds Directional?
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1571, doi. 10.1007/s12039-016-1156-3
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Computational design of Oligo-sulfuranes.
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1663, doi. 10.1007/s12039-016-1157-2
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Bonding and Reactivity Patterns from Electrostatic Landscapes of Molecules.
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1519, doi. 10.1007/s12039-016-1160-7
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Molecular electrostatic potential analysis of non-covalent complexes.
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1677, doi. 10.1007/s12039-016-1162-5
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The Effect of Hydration on the Cation- π Interaction Between Benzene and Various Cations.
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1597, doi. 10.1007/s12039-016-1164-3
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Matrix isolation infrared spectra of O-H ⋯ π Hydrogen bonded complexes of Acetic acid and Trifluoroacetic acid with Benzene.
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1549, doi. 10.1007/s12039-016-1165-2
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The elusive ≡C-H⋯O complex in the hydrogen bonded systems of Phenylacetylene: A Matrix Isolation Infrared and Ab Initio Study.
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1557, doi. 10.1007/s12039-016-1166-1
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Structural, vibrational and bonding properties of hydro-nitrogen solids under high pressure: An ab-initio study.
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1631, doi. 10.1007/s12039-016-1170-5
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Anomalous Lithium Adsorption Propensity of Monolayer Carbonaceous Materials: A Density Functional Study.
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1641, doi. 10.1007/s12039-016-1171-4
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Bader's Theory of Atoms in Molecules (AIM) and its Applications to Chemical Bonding.
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1527, doi. 10.1007/s12039-016-1172-3
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Carbene →N Coordination Bonds in Drugs: A Quantum Chemical Study.
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1607, doi. 10.1007/s12039-016-1173-2
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Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework.
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1671, doi. 10.1007/s12039-016-1174-1
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Understanding the effect of substitution on the formation of S. . .F chalcogen bond.
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1589, doi. 10.1007/s12039-016-1176-z
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One hundred years of Lewis Chemical Bond!
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1517, doi. 10.1007/s12039-016-1177-y
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Role of Lanthanide-Ligand bonding in the magnetization relaxation of mononuclear single-ion magnets: A case study on Pyrazole and Carbene ligated Ln(Ln=Tb, Dy, Ho, Er) complexes.
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- Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1615, doi. 10.1007/s12039-016-1147-4
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