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Journal of Chemical Theory and Computation
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November 19, 2015
An ab Initio Benchmark and DFT Validation Study on Gold(I)-Catalyzed Hydroamination of Alkynes
Gianluca Ciancaleoni, Sergio Rampino, Daniele Zuccaccia, et al.
Dalton Transactions (Cambridge, England : 2003)
|
August 19, 2017
The ligand effect on the oxidative addition of dioxygen to gold(i)-hydride complexes
Carlo Alberto Gaggioli, Leonardo Belpassi, Francesco Tarantelli, et al.
The Journal of Physical Chemistry. A
|
July 6, 2019
Chemical Bond Mechanism for Helium Revealed by Electronic Excitation
Diego Cesario, Francesca Nunzi, Leonardo Belpassi, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States
Enrico Ronca, Celestino Angeli, Leonardo Belpassi, et al.
Dalton Transactions (Cambridge, England : 2003)
|
July 11, 2015
Quantitative assessment of the carbocation/carbene character of the gold-carbene bond
Keith M Azzopardi, Giovanni Bistoni, Gianluca Ciancaleoni, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 4, 2017
Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis
Carlo Alberto Gaggioli, Giovanni Bistoni, Gianluca Ciancaleoni, et al.
Molecules (Basel, Switzerland)
|
May 24, 2020
Leading Interaction Components in the Structure and Reactivity of Noble Gases Compounds
Francesca Nunzi, Giacomo Pannacci, Francesco Tarantelli, et al.
The Journal of Chemical Physics
|
May 17, 2015
Catching the role of anisotropic electronic distribution and charge transfer in halogen bonded complexes of noble gases
Alessio Bartocci, Leonardo Belpassi, David Cappelletti, et al.
Inorganic Chemistry
|
August 29, 2014
When the Tolman electronic parameter fails: a comparative DFT and charge displacement study of [(L)Ni(CO)₃](0/-) and [(L)Au(CO)](0/+)
Gianluca Ciancaleoni, Nicola Scafuri, Giovanni Bistoni, et al.
The Journal of Physical Chemistry Letters
|
June 22, 2017
Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond
Francesca Nunzi, Diego Cesario, Fernando Pirani, et al.
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of 7
Search research articles
Search
Showing results (41-50 of 69) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
November 19, 2015
An ab Initio Benchmark and DFT Validation Study on Gold(I)-Catalyzed Hydroamination of Alkynes
Gianluca Ciancaleoni, Sergio Rampino, Daniele Zuccaccia, et al.
Dalton Transactions (Cambridge, England : 2003)
|
August 19, 2017
The ligand effect on the oxidative addition of dioxygen to gold(i)-hydride complexes
Carlo Alberto Gaggioli, Leonardo Belpassi, Francesco Tarantelli, et al.
The Journal of Physical Chemistry. A
|
July 6, 2019
Chemical Bond Mechanism for Helium Revealed by Electronic Excitation
Diego Cesario, Francesca Nunzi, Leonardo Belpassi, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States
Enrico Ronca, Celestino Angeli, Leonardo Belpassi, et al.
Dalton Transactions (Cambridge, England : 2003)
|
July 11, 2015
Quantitative assessment of the carbocation/carbene character of the gold-carbene bond
Keith M Azzopardi, Giovanni Bistoni, Gianluca Ciancaleoni, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 4, 2017
Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis
Carlo Alberto Gaggioli, Giovanni Bistoni, Gianluca Ciancaleoni, et al.
Molecules (Basel, Switzerland)
|
May 24, 2020
Leading Interaction Components in the Structure and Reactivity of Noble Gases Compounds
Francesca Nunzi, Giacomo Pannacci, Francesco Tarantelli, et al.
The Journal of Chemical Physics
|
May 17, 2015
Catching the role of anisotropic electronic distribution and charge transfer in halogen bonded complexes of noble gases
Alessio Bartocci, Leonardo Belpassi, David Cappelletti, et al.
Inorganic Chemistry
|
August 29, 2014
When the Tolman electronic parameter fails: a comparative DFT and charge displacement study of [(L)Ni(CO)₃](0/-) and [(L)Au(CO)](0/+)
Gianluca Ciancaleoni, Nicola Scafuri, Giovanni Bistoni, et al.
The Journal of Physical Chemistry Letters
|
June 22, 2017
Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond
Francesca Nunzi, Diego Cesario, Fernando Pirani, et al.
Page
of 7