Results 251 to 260 of about 390,156 (271)
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2012
Reviewed in historical context, bond order emerges as a vaguely defined concept without a clear theoretical basis. As an alternative, the spherical standingwave model of the extranuclear electronic distribution on an atom provides a simple explanation of covalent bond order as arising from the constructive and destructive interference of wave patterns.
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Reviewed in historical context, bond order emerges as a vaguely defined concept without a clear theoretical basis. As an alternative, the spherical standingwave model of the extranuclear electronic distribution on an atom provides a simple explanation of covalent bond order as arising from the constructive and destructive interference of wave patterns.
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Ionic-covalent collision interactions
International Journal of Quantum Chemistry, 2009Several classes of collision problems are mediated by interactions between ionic and covalent potential energy curves. Two prominent cases are ion-ion recombination, A+ + B− A + B, and electron capture in multiply charged ion, atom collisions, Aq+ + B A(q – 1)+ + B+.
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Non‐Covalent Interactions in Polysaccharide Systems
Macromolecular Bioscience, 2006AbstractSummary:This paper describes the behavior of some polysaccharides with well‐known chemical structures and in which the influence of cooperative secondary interactions play an important role. The roles played by hydrophobic and ionic interactions (including ionic selectivity) on polysaccharide conformation and gelation are discussed ...
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Identifying Strong Covalent Interactions with Pauli Energy
The Journal of Physical Chemistry A, 2018As one of the most widely used chemical concepts whose origin can be traced back to Lewis theory of bonding a century ago, a covalent bond involves sharing one or more pairs of electrons between atoms. A strong covalent interaction (SCI) is such a covalent bond that two or more electron pairs are shared, yielding a double, triple, quadruple, or even ...
Shubin Liu +3 more
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Genotoxicity of non-covalent interactions: DNA intercalators
Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis, 2007This review provides an update on the mutagenicity of intercalating chemicals, as carried out over the last 17 years. The most extensively studied DNA intercalating agents are acridine and its derivatives, that bind reversibly but non-covalently to DNA. These are frameshift mutagens, especially in bacteria and bacteriophage, but do not otherwise show a
Lynnette R, Ferguson, William A, Denny
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Regulation by Non-Covalent Interactions
2009The regulation of enzymatic activity through non-covalent interactions allows the cell to react quickly and in a reversible manner.
Jeannine Yon-Kahn, Guy Hervé
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Covalent and Non‐Covalent DNA–Gold‐Nanoparticle Interactions: New Avenues of Research
ChemPhysChem, 2016AbstractThe interactions of DNA, whether long, hundred base pair chains or short‐chained oligonucleotides, with ligands play a key role in the field of structural biology. Its biological activity not only depends on the thermodynamic properties of DNA–ligand complexes, but can and often is conditioned by the formation kinetics of those complexes.
Jose M. Carnerero +3 more
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Non Covalent Interactions In Protein Complexes
2007While the electrostatic interactions between the complementary charged proteins increase their interaction, desolvation of the charged and polar amino acid residues destabilizes the protein - protein complex. We studied influence of the electrostatic interactions on formation of the protein complexes between Ras and Rap and their effectors Raf and ...
Tomić, Sanja +2 more
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Interatomic interactions in covalent and ionic solids
Physical Review B, 1990The total energy in tight-binding theory is obtained to second order in the ratio of the width of the bonding band to the bonding-antibonding splitting. This is the reciprocal of the expansion parameter appropriate to metals. No other important approximation on the minimal-basis, nearest-neighbor, tight-binding Hamiltonian is required for the periodic ...
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Non-covalent interactions – QTAIM and NBO analysis
Journal of Molecular Modeling, 2012MP2(full)/6-311++G(3df,3pd) calculations were carried out on complexes linked through various non-covalent Lewis acid - Lewis base interactions. These are: hydrogen bond, dihydrogen bond, hydride bond and halogen bond. The quantum theory of ´atoms in molecules´ (QTAIM) as well as the natural bond orbitals (NBO) method were applied to analyze properties
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