Janet Del Bene - Dissemin

Papers authored by Janet Del Bene

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2013 Janet E. Del Bene

, Goar Sánchez-Sanz, José Elguero

Phosphorus As a Simultaneous Electron-Pair Acceptor in Intermolecular P···N Pnicogen Bonds and Electron-Pair Donor to Lewis Acids

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Janet Elaine Del Bene

, Ibon Alkorta

, Goar Sánchez-Sanz, José Elguero

Ab initio study of cooperative effects in complexes X:HBO:Z, with X, Z=LiH, HNC, HF, HCN, HCl, ClF, and HBO: Structures, binding energies, and spin-spin coupling constants across intermolecular bonds

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Janet E. Del Bene

John Pople: The Man and His Science

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2012 Ibon Alkorta

, Goar Sánchez-Sanz, José Elguero, Janet E. Del Bene

Influence of Hydrogen Bonds on the P···P Pnicogen Bond

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Janet E. Del Bene

, Goar Sanchez-Sanz, Ibon Alkorta

, José Elguero

Homo- and heterochiral dimers (PHFX)2, X=Cl, CN, CH3, NC: To what extent do they differ?

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Janet Del E. Bene, Janet E. Del Bene

, Ibon Alkorta

, Goar Sanchez-Sanz, Jose Elguero

Variations in the structures and binding energies of binary complexes with HBO

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Janet E. Del Bene

, Ibon Alkorta

, Goar Sanchez-Sanz, José Elguero

Structures, Binding Energies, and Spin–Spin Coupling Constants of Geometric Isomers of Pnicogen Homodimers (PHFX)2, X = F, Cl, CN, CH3, NC

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Ibon Alkorta

, Goar Sanchez-Sanz, José Elguero, Janet E. Del Bene

FCl:PCX complexes: Old and new types of halogen bonds

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Bun Chan, Janet E. Del Bene

, Leo Radom

Proton-bound homodimers involving second-row atoms

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2011 Janet E. Del Bene

, Ibon Alkorta

, Goar Sanchez-Sanz, José Elguero

Structures, Energies, Bonding, and NMR Properties of Pnicogen Complexes H2XP:NXH2(X ═ H, CH3, NH2, OH, F, Cl)

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Janet E. Del Bene

, Ibon Alkorta

, José Elguero

Ab Initio Study of Ternary Complexes X:(HCNH)+:Z with X, Z = NCH, CNH, FH, ClH, and FCl: Diminutive Cooperative Effects on Structures, Binding Energies, and Spin–Spin Coupling Constants Across Hydrogen Bonds

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Janet E. Del Bene

, Ibon Alkorta

, José Elguero

Structures, Energies, and Spin–Spin Coupling Constants of Methyl-Substituted 1,3-Diborata-2,4-diphosphoniocyclobutanes: Four-member B–P–B–P Rings B2P2(CH3)nH8–n, withn= 0, 1, 2, 4

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Janet E. Del Bene

, Ibon Alkorta

, Goar Sanchez-Sanz, José Elguero

31P–31P spin–spin coupling constants for pnicogen homodimers

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Janet E. Del Bene

, Ibon Alkorta, José Elguero

Structures, Energies, and Spin−Spin Coupling Constants of Fluoro-Substituted 1,3-Diborata-2,4-diphosphoniocyclobutanes: Four-Member B−P−B−P Rings B2P2FnH8−nwithn= 0, 1, 2, 4

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Janet E. Del Bene

, Ibon Alkorta

, José Elguero

Do nitrogen bases form chlorine-shared and ion-pair halogen bonds?

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Ibon Alkorta

, Ignacio Soteras, José Elguero, Janet E. Del Bene

The boron–boron single bond in diborane(4) as a non-classical electron donor for hydrogen bonding

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Janet E. Del Bene

, Ibon Alkorta

, José Elguero

An ab initio study of cooperative effects in ternary complexes X:CNH:Z with X, Z=CNH, FH, ClH, FCl, and HLi: structures, binding energies, and spin–spin coupling constants across intermolecular bonds

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2010 Janet E. Del Bene

, Ibon Alkorta

, José Elguero

Do Traditional, Chlorine-shared, and Ion-pair Halogen Bonds Exist? An ab Initio Investigation of FCl:CNX Complexes

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Janet E. Del Bene

, Ibon Alkorta

, José Elguero, Otilia Mó

, Manuel Yáñez

Structural and Electronic Effects on One-Bond Spin−Spin Coupling Constants1J(B−N),1J(B−H), and1J(B−F) for Complexes of Nitrogen Bases with BH3and Its Fluoro-Substituted Derivatives

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Janet E. Del Bene

, Ibon Alkorta

, José Elguero

Ab Initio Study of Ternary Complexes A···NCH···C with A,C = HCN, HF, HCl, ClF, and LiH: Energetics and Spin−Spin Coupling Constants across Intermolecular Bonds

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Papers authored by Janet Del Bene