Quantum states of physical domains in molecular systems: A three-state model approach von Bochicchio, Roberto C., Maulén, Boris

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Determination of Local Spins by Means of a Spin-Free Treatment von Alcoba, Diego R, Torre, Alicia, Lain, Luis, Bochicchio, Roberto C

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Structure of Fukui matrices von Bochicchio, Roberto C.

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Topological description of complex patterns of bonding, charge transference and structural changes in chemical reactions: SN2 type reactions, a case study von Lobayan, Rosana M., Bochicchio, Roberto C., Marturet, Alejandro D.

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Note: Energy convexity and density matrices in molecular systems von Bochicchio, Roberto C, Rial, Diego

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Topological population analysis and pairing/unpairing electron distribution evolution: Atomic B3+ cluster bending mode, a case study von Lobayan, Rosana M., Bochicchio, Roberto C., Pérez del Valle, Carlos

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Do Organometallic CH4-Me(+p) Adducts and X4H(+) (X = P, As) Clusters Undergo Two-Electron Three-Center Interactions? Some Aspects of Discussion von Lobayan, Rosana M, Bochicchio, Roberto C

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Do Organometallic CH4–Me+p Adducts and X4H+ (X = P, As) Clusters Undergo Two-Electron Three-Center Interactions? Some Aspects of Discussion von Lobayan, Rosana M, Bochicchio, Roberto C

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Energy decompositions according to physical space partitioning schemes von Alcoba, Diego R, Torre, Alicia, Lain, Luis, Bochicchio, Roberto C

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Donor‐acceptor interactions: Transition metal carbonyl group ligand [TM(CO)6]q complexes. A case study at correlated level from the topological density point of view von Bochicchio, Roberto C., Lobayan, Rosana M., Valle, Carlos Pérez

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Communication: reduced density matrices in molecular systems: grand-canonical electron states von Bochicchio, Roberto C, Miranda-Quintana, Ramón A, Rial, Diego

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Pairing and unpairing electron densities in organic systems: two-electron three center through space and through bonds interactions von Lobayan, Rosana M, Bochicchio, Roberto C

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Depicting electronic distributions from accurate computational first principles: On the relationship between the complex patterns of bonding interaction and the back-donation pheno... von Lobayan, Rosana M., Bochicchio, Roberto C., Pérez del Valle, Carlos

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Relationships between Cumulant and Spin-Density Matrices: Application to the Decomposition of Spin von Torre, Alicia, Alcoba, Diego R, Lain, Luis, Bochicchio, Roberto C

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Local spin: A treatment beyond single determinant wave functions von Alcoba, Diego R., Lain, Luis, Torre, Alicia, Bochicchio, Roberto C.

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Electronic Structure and Effectively Unpaired Electron Density Topology in closo-Boranes: Nonclassical Three-Center Two-Electron Bonding von Lobayan, Rosana M, Bochicchio, Roberto C, Torre, Alicia, Lain, Luis

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Topology of the Effectively Paired and Unpaired Electron Densities for Complex Bonding Patterns: The Three-Center Two-Electron Bonding Case von Lobayan, Rosana M, Bochicchio, Roberto C, Torre, Alicia, Lain, Luis

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Energy decompositions according to physical space partitioning schemes: Treatments of the density cumulant von Alcoba, Diego R., Torre, Alicia, Lain, Luis, Bochicchio, Roberto C.

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On the non-integer number of particles in molecular system domains: treatment and description von Bochicchio, Roberto C.

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Laplacian Field of the Effectively Unpaired Electron Density: Determination of Many-Body Effects on Electron Distributions von Lobayan, Rosana M, Bochicchio, Roberto C, Lain, Luis, Torre, Alicia

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