Results: 38
Electron pairing and chemical bonds: Pair localization in ELF domains from the analysis of domain averaged Fermi holes.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 109, doi. 10.1002/jcc.20465
- By:
- Publication type:
- Article
QTAIM n-center delocalization indices as descriptors of aromaticity in mono and poly heterocycles.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 127, doi. 10.1002/jcc.20468
- By:
- Publication type:
- Article
Valence and extra-valence orbitals in main group and transition metal bonding.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 198, doi. 10.1002/jcc.20492
- By:
- Publication type:
- Article
What I like about Hückel theory.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 25, doi. 10.1002/jcc.20470
- By:
- Publication type:
- Article
Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 152, doi. 10.1002/jcc.20491
- By:
- Publication type:
- Article
A valence bond study of the dioxygen molecule.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 185, doi. 10.1002/jcc.20490
- By:
- Publication type:
- Article
Electronic structure of CO—An exercise in modern chemical bonding theory.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 117, doi. 10.1002/jcc.20477
- By:
- Publication type:
- Article
Chemical fragments in real space: Definitions, properties, and energetic decompositions.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 161, doi. 10.1002/jcc.20469
- By:
- Publication type:
- Article
A survey of recent developments in ab initio valence bond theory.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 137, doi. 10.1002/jcc.20478
- By:
- Publication type:
- Article
In between worlds: G.N. Lewis, the shared pair bond and its multifarious contexts.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 62, doi. 10.1002/jcc.20493
- By:
- Publication type:
- Article
Bond order and valence indices: A personal account.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 204, doi. 10.1002/jcc.20494
- By:
- Publication type:
- Article
Atom–atom partitioning of total (super)molecular energy: The hidden terms of classical force fields.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 292, doi. 10.1002/jcc.20530
- By:
- Publication type:
- Article
The existence of secondary orbital interactions.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 344, doi. 10.1002/jcc.20532
- By:
- Publication type:
- Article
Rehybridization as a general mechanism for maximizing chemical and supramolecular bonding and a driving force for chemical reactions.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 373, doi. 10.1002/jcc.20524
- By:
- Publication type:
- Article
Comprehensive analysis of chemical bonding in boron clusters.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 251, doi. 10.1002/jcc.20518
- By:
- Publication type:
- Article
Pair interaction energy decomposition analysis.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 222, doi. 10.1002/jcc.20496
- By:
- Publication type:
- Article
The Lewis legacy: The chemical bond—A territory and heartland of chemistry.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 51, doi. 10.1002/jcc.20517
- By:
- Publication type:
- Article
Chemical bonding: From Lewis to atoms in molecules.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 4, doi. 10.1002/jcc.20528
- By:
- Publication type:
- Article
Diffuse functions in natural bond orbital analysis.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 269, doi. 10.1002/jcc.20519
- By:
- Publication type:
- Article
Valence bond theory for chemical dynamics.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 73, doi. 10.1002/jcc.20529
- By:
- Publication type:
- Article
Towards design of the smallest planar tetracoordinate carbon and boron systems.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 335, doi. 10.1002/jcc.20552
- By:
- Publication type:
- Article
Recent advances in planar tetracoordinate carbon chemistry.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 362, doi. 10.1002/jcc.20515
- By:
- Publication type:
- Article
Unicorns in the world of chemical bonding models.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 15, doi. 10.1002/jcc.20543
- By:
- Publication type:
- Article
Foreword.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 1, doi. 10.1002/jcc.20544
- By:
- Publication type:
- Article
Gilbert N. Lewis and the chemical bond: The electron pair and the octet rule from 1916 to the present day.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 87, doi. 10.1002/jcc.20545
- By:
- Publication type:
- Article
Bond electron pair: Its relevance and analysis from the quantum chemistry point of view.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 35, doi. 10.1002/jcc.20546
- By:
- Publication type:
- Article
Working tools for theoretical chemistry: Polanyi, eyring, and debates over the “semiempirical method”.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 98, doi. 10.1002/jcc.20527
- By:
- Publication type:
- Article
Covalent versus ionic bonding in alkalimetal fluoride oligomers.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 238, doi. 10.1002/jcc.20547
- By:
- Publication type:
- Article
Electronic structure and bonding studies on triple-decker sandwich complexes with a P<sub>6</sub> middle ring.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 310, doi. 10.1002/jcc.20521
- By:
- Publication type:
- Article
The origin of the two-electron/four-centers C&bond;C bond in π-TCNE<sub>2</sub><sup>2</sup><sup>-</sup> dimers: Electrostatic or dispersion?
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 326, doi. 10.1002/jcc.20525
- By:
- Publication type:
- Article
How resonance assists hydrogen bonding interactions: An energy decomposition analysis.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 455, doi. 10.1002/jcc.20523
- By:
- Publication type:
- Article
Electrostatic energy in the effective fragment potential method: Theory and application to benzene dimer.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 276, doi. 10.1002/jcc.20520
- By:
- Publication type:
- Article
σ and π contributions to the induced magnetic field: Indicators for the mobility of electrons in molecules.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 302, doi. 10.1002/jcc.20548
- By:
- Publication type:
- Article
Maximum probability domains from Quantum Monte Carlo calculations.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 442, doi. 10.1002/jcc.20526
- By:
- Publication type:
- Article
Toward a physical understanding of electron-sharing two-center bonds. I. General aspects.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 411, doi. 10.1002/jcc.20531
- By:
- Publication type:
- Article
Electronic reorganization: Origin of sigma trans promotion effect.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 423, doi. 10.1002/jcc.20551
- By:
- Publication type:
- Article
Why does electron sharing lead to covalent bonding? A variational analysis.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 391, doi. 10.1002/jcc.20553
- By:
- Publication type:
- Article
The role of radial nodes of atomic orbitals for chemical bonding and the periodic table.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 320, doi. 10.1002/jcc.20522
- By:
- Publication type:
- Article