Distributed polarizabilities using the topological theory of atoms in molecules

Chemical Physics Letters ◽

10.1016/0009-2614(94)87056-x ◽

1994 ◽

Vol 219 (3-4) ◽

pp. 267-273 ◽

Author(s):

János G. Ángyán ◽

Georg Jansen ◽

Michel Loss ◽

Christof Hättig ◽

Bernd A. Heß

Keyword(s):

Atoms In Molecules ◽

Topological Theory

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Atomic Fukui indexes from the topological theory of atoms in molecules applied to Hartree-Fock and correlated electron densities

The Journal of Physical Chemistry ◽

10.1021/j100144a008 ◽

1993 ◽

Vol 97 (42) ◽

pp. 10948-10951 ◽

Author(s):

Jerzy Cioslowski ◽

Martin Martinov ◽

Stacey T. Mixon

Keyword(s):

Atoms In Molecules ◽

Electron Densities ◽

Topological Theory ◽

Hartree Fock ◽

Correlated Electron

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Diatomic interaction energies in the topological theory of atoms in molecules

Theoretica Chimica Acta ◽

10.1007/bf02329238 ◽

1997 ◽

Vol 95 (1-2) ◽

pp. 1-12 ◽

Author(s):

Anibal Sierraalta ◽

Gernot Frenking

Keyword(s):

Atoms In Molecules ◽

Interaction Energies ◽

Topological Theory

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Distributed polarizabilities using the topological theory of atoms in molecules

10.1063/1.47847 ◽

1995 ◽

Author(s):

János G. Ángyán ◽

Georg Jansen ◽

Michel Loos ◽

Christof Hättig ◽

Bernd A. Hess

Keyword(s):

Atoms In Molecules ◽

Topological Theory

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Diatomic interaction energies in the topological theory of atoms in molecules

Theoretica Chimica Acta ◽

10.1007/s002140050179 ◽

1997 ◽

Vol 95 (1) ◽

pp. 1 ◽

Author(s):

Anibal Sierraalta ◽

Gernot Frenking

Keyword(s):

Atoms In Molecules ◽

Interaction Energies ◽

Topological Theory

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Weak bonds in the topological theory of atoms in molecules

Journal of the American Chemical Society ◽

10.1021/ja00004a004 ◽

1991 ◽

Vol 113 (4) ◽

pp. 1083-1085 ◽

Author(s):

Jerzy Cioslowski ◽

Stacey T. Mixon ◽

W. Daniel Edwards

Keyword(s):

Atoms In Molecules ◽

Topological Theory

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Energy decomposition in the topological theory of atoms in molecules and in the linear combination of atomic orbitals formalism: a note

Theoretical Chemistry Accounts ◽

10.1007/s002140000230 ◽

2001 ◽

Vol 105 (4-5) ◽

pp. 360-364 ◽

Author(s):

I. Mayer ◽

A. Hamza

Keyword(s):

Linear Combination ◽

Atoms In Molecules ◽

Energy Decomposition ◽

Topological Theory ◽

Atomic Orbitals

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Covalent Bond Orders and Atomic Valence Indices in the Topological Theory of Atoms in Molecules

The Journal of Physical Chemistry ◽

10.1021/j100071a013 ◽

1994 ◽

Vol 98 (20) ◽

pp. 5244-5248 ◽

Author(s):

Janos G. Angyan ◽

Michel Loos ◽

Istvan Mayer

Keyword(s):

Covalent Bond ◽

Atoms In Molecules ◽

Bond Orders ◽

Topological Theory ◽

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Covalent bond orders and atomic valence indices using the topological theory of atoms in molecules

10.1063/1.47848 ◽

1995 ◽

Author(s):

János G. Ángyán ◽

Michel Loos ◽

István Mayer

Keyword(s):

Covalent Bond ◽

Atoms In Molecules ◽

Bond Orders ◽

Topological Theory ◽

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Electronegativities in situ, bond hardnesses, and charge-transfer components of bond energies from the topological theory of atoms in molecules

Journal of the American Chemical Society ◽

10.1021/ja00056a037 ◽

1993 ◽

Vol 115 (3) ◽

pp. 1084-1088 ◽

Author(s):

Jerzy Cioslowski ◽

Stacey T. Mixon

Keyword(s):

Charge Transfer ◽

Atoms In Molecules ◽

Bond Energies ◽

Topological Theory

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Covalent bond orders in the topological theory of atoms in molecules

Journal of the American Chemical Society ◽

10.1021/ja00011a014 ◽

1991 ◽

Vol 113 (11) ◽

pp. 4142-4145 ◽

Author(s):

Jerzy Cioslowski ◽

Stacey T. Mixon

Keyword(s):

Covalent Bond ◽

Atoms In Molecules ◽

Bond Orders ◽

Topological Theory

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