Found: 25
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Intercalation processes of copper complexes in DNA.
- Published in:
- Nucleic Acids Research, 2015, v. 43, n. 11, p. 5364, doi. 10.1093/nar/gkv467
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- Article
Do weak interactions affect the biological behavior of DNA? A DFT study of CpG island–like chains.
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- Journal of Molecular Modeling, 2020, v. 26, n. 10, p. 1, doi. 10.1007/s00894-020-04501-6
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- Article
The Role of the DNA Backbone in Minor-Groove Ligand Binding.
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- ChemPhysChem, 2017, v. 18, n. 14, p. 1909, doi. 10.1002/cphc.201700260
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- Article
Theoretical study of the smiles rearrangement in the activation mechanism of proton pump inhibitors.
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- Journal of Physical Organic Chemistry, 2012, v. 25, n. 3, p. 230, doi. 10.1002/poc.1896
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- Article
Front Cover: Laplacian of the Hamiltonian Kinetic Energy Density as an Indicator of Binding and Weak Interactions (ChemPhysChem 3/2020).
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- ChemPhysChem, 2020, v. 21, n. 3, p. 187, doi. 10.1002/cphc.202000035
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- Article
Laplacian of the Hamiltonian Kinetic Energy Density as an Indicator of Binding and Weak Interactions.
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- ChemPhysChem, 2020, v. 21, n. 3, p. 194, doi. 10.1002/cphc.201900769
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- Article
Quantum Topological Atomic Properties of 44K molecules.
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- Scientific Data, 2024, v. 11, n. 1, p. 1, doi. 10.1038/s41597-024-03723-0
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- Article
An Examination of the Electron Densities in a Series of Tripodal Cobalt Complexes Bridged by Magnesium, Calcium, Strontium, and Barium †.
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- Crystals (2073-4352), 2018, v. 8, n. 6, p. 234, doi. 10.3390/cryst8060234
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- Article
GOWAWA Aggregation Operator‐based Global Molecular Characterizations: Weighting Atom/bond Contributions (LOVIs/LOEIs) According to their Influence in the Molecular Encoding.
- Published in:
- Molecular Informatics, 2018, v. 37, n. 12, p. N.PAG, doi. 10.1002/minf.201800039
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- Article
Energy additivity in branched and cyclic hydrocarbons.
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- Canadian Journal of Chemistry, 2009, v. 87, n. 11, p. 1583, doi. 10.1139/V09-121
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- Article
Choquet integral-based fuzzy molecular characterizations: when global definitions are computed from the dependency among atom/bond contributions (LOVIs/LOEIs).
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- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0306-7
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- Publication type:
- Article
Latin American contributions to quantum chemical topology.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 2, p. N.PAG, doi. 10.1002/qua.25789
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- Article
Frontispiece: Origin of the Photoinduced Geometrical Change of Copper(I) Complexes from the Quantum Chemical Topology View.
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- 2019
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- Publication type:
- Image
Origin of the Photoinduced Geometrical Change of Copper(I) Complexes from the Quantum Chemical Topology View.
- Published in:
- Chemistry - A European Journal, 2019, v. 25, n. 3, p. 775, doi. 10.1002/chem.201804596
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- Publication type:
- Article
Is Hexachloro- cyclo-triphosphazene Aromatic? Evidence from Experimental Charge Density Analysis.
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- Chemistry - A European Journal, 2017, v. 23, n. 29, p. 6964, doi. 10.1002/chem.201700411
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- Article
Distribution of toxicity values across different species and modes of action of pesticides from PESTIMEP and PPDB databases.
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- Toxicology Research, 2019, v. 8, n. 2, p. 146, doi. 10.1039/c8tx00322j
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- Article
Electronic substituent effects in the electron impact mass spectrometry of 2-(arylazo)-4-phenylphenols.
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- Rapid Communications in Mass Spectrometry: RCM, 2005, v. 19, n. 18, p. 2563, doi. 10.1002/rcm.2095
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- Article
Visualizing Correlation Regions: The Case of the Ammonia Crystal.
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- Chemistry - Methods, 2022, v. 2, n. 2, p. 1, doi. 10.1002/cmtd.202100045
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- Publication type:
- Article
Charge transfer and electron localization as the origin of the anomeric effect in the O─C─O segment of dimethoxymethane and spiroketals.
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- Journal of Physical Organic Chemistry, 2018, v. 31, n. 4, p. 1, doi. 10.1002/poc.3793
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- Article
Isomeric Effect on the Pharmacokinetic Behavior of Anticancer Cu<sup>II</sup> Mixed Chelate Complexes: Experimental and Theoretical Approach.
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- European Journal of Inorganic Chemistry, 2017, v. 2017, n. 12, p. 1728, doi. 10.1002/ejic.201601199
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- Article
Intermediate Detection in the Casiopeina–Cysteine Interaction Ending in the Disulfide Bond Formation and Copper Reduction.
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- Molecules, 2021, v. 26, n. 19, p. 5729, doi. 10.3390/molecules26195729
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- Article
Dynamic Molecular Graphs: 'Hopping' Structures.
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- Chemistry - A European Journal, 2014, v. 20, n. 19, p. 5665, doi. 10.1002/chem.201303287
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- Publication type:
- 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
The Role of Induced Current Density in Steroelectronic Effects: Perlin Effect.
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- Journal of Computational Chemistry, 2015, v. 36, n. 21, p. 1573, doi. 10.1002/jcc.23965
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- Publication type:
- Article
Properties of atoms in electronically excited molecules within the formalism of TDDFT.
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- Journal of Computational Chemistry, 2014, v. 35, n. 10, p. 820, doi. 10.1002/jcc.23559
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- Article