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Alcoba, Diego R
Bochicchio, Roberto C
Lain, Luis
Lobayan, Rosana M
Miranda-Quintana, Ramón A
Oña, Ofelia
Rial, Diego
Torre, Alicia
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1.
Note: Energy convexity and density matrices in molecular systems.
[electronic resource]
by
Bochicchio, Roberto C
Rial, Diego
Producer:
20130305
In:
The Journal of chemical physics
vol. 137
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2.
Pairing and unpairing electron densities in organic systems: two-electron three center through space and through bonds interactions.
[electronic resource]
by
Lobayan, Rosana M
Bochicchio, Roberto C
Producer:
20150413
In:
The Journal of chemical physics
vol. 140
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3.
Do Organometallic CH4-Me(+p) Adducts and X4H(+) (X = P, As) Clusters Undergo Two-Electron Three-Center Interactions? Some Aspects of Discussion.
[electronic resource]
by
Lobayan, Rosana M
Bochicchio, Roberto C
Producer:
20150914
In:
The journal of physical chemistry. A
vol. 119
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4.
Communication: reduced density matrices in molecular systems: grand-canonical electron states.
[electronic resource]
by
Bochicchio, Roberto C
Miranda-Quintana, Ramón A
Rial, Diego
Producer:
20140806
In:
The Journal of chemical physics
vol. 139
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5.
Laplacian field of the effectively unpaired electron density: determination of many-body effects on electron distributions.
[electronic resource]
by
Lobayan, Rosana M
Bochicchio, Roberto C
Lain, Luis
Torre, Alicia
Producer:
20070601
In:
The journal of physical chemistry. A
vol. 111
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6.
Covalent bond orders revisited: the open-shell case.
[electronic resource]
by
Alcoba, Diego R
Bochicchio, Roberto C
Lain, Luis
Torre, Alicia
Producer:
20081010
In:
Physical chemistry chemical physics : PCCP
vol. 10
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7.
Electron-density topology in molecular systems: paired and unpaired densities.
[electronic resource]
by
Lobayan, Rosana M
Bochicchio, Roberto C
Lain, Luis
Torre, Alicia
Producer:
20070719
In:
The Journal of chemical physics
vol. 123
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8.
Determination of three-center bond indices from population analyses: a fuzzy atom treatment.
[electronic resource]
by
Torre, Alicia
Alcoba, Diego R
Lain, Luis
Bochicchio, Roberto C
Producer:
20070621
In:
The journal of physical chemistry. A
vol. 109
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9.
Topology of the Effectively Paired and Unpaired Electron Densities for Complex Bonding Patterns: The Three-Center Two-Electron Bonding Case.
[electronic resource]
by
Lobayan, Rosana M
Bochicchio, Roberto C
Torre, Alicia
Lain, Luis
Producer:
20151201
In:
Journal of chemical theory and computation
vol. 5
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10.
Energy decompositions according to physical space partitioning schemes.
[electronic resource]
by
Alcoba, Diego R
Torre, Alicia
Lain, Luis
Bochicchio, Roberto C
Producer:
20060427
In:
The Journal of chemical physics
vol. 122
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11.
Energy decompositions according to physical space partitioning schemes: treatments of the density cumulant.
[electronic resource]
by
Alcoba, Diego R
Torre, Alicia
Lain, Luis
Bochicchio, Roberto C
Producer:
20071128
In:
The Journal of chemical physics
vol. 127
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12.
Electronic Structure and Effectively Unpaired Electron Density Topology in closo-Boranes: Nonclassical Three-Center Two-Electron Bonding.
[electronic resource]
by
Lobayan, Rosana M
Bochicchio, Roberto C
Torre, Alicia
Lain, Luis
Producer:
20151130
In:
Journal of chemical theory and computation
vol. 7
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13.
Determination of Local Spins by Means of a Spin-Free Treatment.
[electronic resource]
by
Alcoba, Diego R
Torre, Alicia
Lain, Luis
Bochicchio, Roberto C
Producer:
20151125
In:
Journal of chemical theory and computation
vol. 7
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14.
An orbital localization criterion based on the theory of "fuzzy" atoms.
[electronic resource]
by
Alcoba, Diego R
Lain, Luis
Torre, Alicia
Bochicchio, Roberto C
Producer:
20060503
In:
Journal of computational chemistry
vol. 27
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15.
A study of the partitioning of the first-order reduced density matrix according to the theory of atoms in molecules.
[electronic resource]
by
Alcoba, Diego R
Lain, Luis
Torre, Alicia
Bochicchio, Roberto C
Producer:
20070719
In:
The Journal of chemical physics
vol. 123
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16.
Decomposition of the first-order reduced density matrix: an isopycnic localization treatment.
[electronic resource]
by
Alcoba, Diego R
Bochicchio, Roberto C
Torre, Alicia
Lain, Luis
Producer:
20070814
In:
The journal of physical chemistry. A
vol. 110
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17.
Relationships between cumulant and spin-density matrices: application to the decomposition of spin.
[electronic resource]
by
Torre, Alicia
Alcoba, Diego R
Lain, Luis
Bochicchio, Roberto C
Producer:
20100504
In:
The journal of physical chemistry. A
vol. 114
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18.
Determination of energies and electronic densities of functional groups according to partitionings in the physical space.
[electronic resource]
by
Alcoba, Diego R
Oña, Ofelia
Torre, Alicia
Lain, Luis
Bochicchio, Roberto C
Producer:
20081203
In:
The journal of physical chemistry. A
vol. 112
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19.
Topology of the electron density in open-shell systems.
[electronic resource]
by
Lobayan, Rosana M
Alcoba, Diego R
Bochicchio, Roberto C
Torre, Alicia
Lain, Luis
Producer:
20100318
In:
The journal of physical chemistry. A
vol. 114
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