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The Journal of Physical Chemistry. A
|
August 13, 2019
Potential Energy Surfaces of HN(CH)SX:CO<sub>2</sub> for X = F, Cl, NC, CN, CCH, and H: N···C Tetrel Bonds and O···S Chalcogen Bonds
Janet E Del Bene, Ibon Alkorta, José Elguero
The Journal of Physical Chemistry. A
|
February 19, 2010
Ab initio study of nonadditivity effects: spin-spin coupling constants for tetrafluoroethene in ternary pi complexes
Janet E Del Bene, Ibon Alkorta, José Elguero
The Journal of Physical Chemistry. A
|
December 19, 2014
Substituent effects on the properties of pnicogen-bonded complexes H₂XP:PYH₂, for X, Y = F, Cl, OH, NC, CCH, CH₃, CN, and H
Janet E Del Bene, Ibon Alkorta, José Elguero
The Journal of Physical Chemistry. A
|
October 17, 2017
Carbon-Carbon Bonding between Nitrogen Heterocyclic Carbenes and CO<sub>2</sub>
Janet E Del Bene, Ibon Alkorta, José Elguero
The Journal of Physical Chemistry. A
|
September 26, 2017
Azines as Electron-Pair Donors to CO<sub>2</sub> for N···C Tetrel Bonds
Ibon Alkorta, José Elguero, Janet E Del Bene
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 15, 2016
Boron as an Electron-Pair Donor for B⋅⋅⋅Cl Halogen Bonds
Ibon Alkorta, José Elguero, Janet E Del Bene
The Journal of Physical Chemistry. A
|
August 13, 2010
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
Janet E Del Bene, Ibon Alkorta, José Elguero
The Journal of Physical Chemistry. A
|
June 24, 2008
Ab initio EOM-CCSD spin-spin coupling constants for hydrogen-bonded formamide complexes: bridging complexes with NH3, (NH3)2, H2O, (H2O)2, FH, and (FH)2
Janet E Del Bene, Ibon Alkorta, José Elguero
The Journal of Physical Chemistry. A
|
April 1, 2010
Ab initio EOM-CCSD investigation of one-bond C-C, N-C, and N-N spin-spin coupling constants in fluoroazines
Janet E Del Bene, Ibon Alkorta, José Elguero
The Journal of Physical Chemistry. A
|
July 3, 2009
Characterizing complexes with F-Li+-F lithium bonds: structures, binding energies, and spin-spin coupling constants
Janet E Del Bene, Ibon Alkorta, José Elguero
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of 16
Search research articles
Search
Showing results (51-60 of 154) with videos related to
Sort By:
Page
of 16
The Journal of Physical Chemistry. A
|
August 13, 2019
Potential Energy Surfaces of HN(CH)SX:CO<sub>2</sub> for X = F, Cl, NC, CN, CCH, and H: N···C Tetrel Bonds and O···S Chalcogen Bonds
Janet E Del Bene, Ibon Alkorta, José Elguero
The Journal of Physical Chemistry. A
|
February 19, 2010
Ab initio study of nonadditivity effects: spin-spin coupling constants for tetrafluoroethene in ternary pi complexes
Janet E Del Bene, Ibon Alkorta, José Elguero
The Journal of Physical Chemistry. A
|
December 19, 2014
Substituent effects on the properties of pnicogen-bonded complexes H₂XP:PYH₂, for X, Y = F, Cl, OH, NC, CCH, CH₃, CN, and H
Janet E Del Bene, Ibon Alkorta, José Elguero
The Journal of Physical Chemistry. A
|
October 17, 2017
Carbon-Carbon Bonding between Nitrogen Heterocyclic Carbenes and CO<sub>2</sub>
Janet E Del Bene, Ibon Alkorta, José Elguero
The Journal of Physical Chemistry. A
|
September 26, 2017
Azines as Electron-Pair Donors to CO<sub>2</sub> for N···C Tetrel Bonds
Ibon Alkorta, José Elguero, Janet E Del Bene
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 15, 2016
Boron as an Electron-Pair Donor for B⋅⋅⋅Cl Halogen Bonds
Ibon Alkorta, José Elguero, Janet E Del Bene
The Journal of Physical Chemistry. A
|
August 13, 2010
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
Janet E Del Bene, Ibon Alkorta, José Elguero
The Journal of Physical Chemistry. A
|
June 24, 2008
Ab initio EOM-CCSD spin-spin coupling constants for hydrogen-bonded formamide complexes: bridging complexes with NH3, (NH3)2, H2O, (H2O)2, FH, and (FH)2
Janet E Del Bene, Ibon Alkorta, José Elguero
The Journal of Physical Chemistry. A
|
April 1, 2010
Ab initio EOM-CCSD investigation of one-bond C-C, N-C, and N-N spin-spin coupling constants in fluoroazines
Janet E Del Bene, Ibon Alkorta, José Elguero
The Journal of Physical Chemistry. A
|
July 3, 2009
Characterizing complexes with F-Li+-F lithium bonds: structures, binding energies, and spin-spin coupling constants
Janet E Del Bene, Ibon Alkorta, José Elguero
Page
of 16