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The Journal of Chemical Physics
|
May 17, 2020
An efficient hybrid scheme for time dependent density functional theory
Marco Medves, Luca Sementa, Daniele Toffoli, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 27, 2018
Pd doping, conformational, and charge effects on the dichroic response of a monolayer protected Au<sub>38</sub>(SR)<sub>24</sub> nanocluster
Daniele Toffoli, Oscar Baseggio, Giovanna Fronzoni, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 18, 2024
Unrevealing the Nitrogen Elusive Chirality of 3-Sulfanyl and 3-Sulfinyl N-Tosyl Isoindolinones by ECD Spectra: An Experimental and Theoretical Investigation
Laura Palombi, Marta Monti, Erica Scarel, et al.
Journal of Computational Chemistry
|
March 29, 2024
Dichroism of plasmonic chiral nanoalloys by rational design
Pierpaolo D'Antoni, Daniele Toffoli, Giovanna Fronzoni, et al.
The Journal of Physical Chemistry. A
|
October 31, 2023
A Resolution of Identity Technique to Speed up TDDFT with Hybrid Functionals: Implementation and Application to the Magic Cluster Series Au<sub>8</sub>(SC<sub>6</sub>H<sub>5</sub>)<sub>4</sub> (<i>n</i> = 3-6)
Pierpaolo D'Antoni, Marco Medves, Daniele Toffoli, et al.
Dalton Transactions (Cambridge, England : 2003)
|
December 13, 2006
Evaluation of the donor ability of phenanthrolines in iridium complexes by means of synchrotron radiation photoemission spectroscopy and DFT calculations
Corrado Crotti, Erica Farnetti, Serena Filipuzzi, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 9, 2018
Au<sub>36</sub>(SePh)<sub>24</sub> nanomolecules: synthesis, optical spectroscopy and theoretical analysis
Milan Rambukwella, Le Chang, Anish Ravishanker, et al.
Inorganic Chemistry
|
November 13, 2007
Self-assembled metallacycles with pyrazine edges: a new example in which the unexpected molecular triangle prevails over the expected molecular square
Sofia Derossi, Massimo Casanova, Elisabetta Iengo, et al.
The Journal of Physical Chemistry. A
|
November 29, 2013
Fe L-edge X-ray absorption spectra of Fe(II) polypyridyl spin crossover complexes from time-dependent density functional theory
Weijie Hua, Guangjun Tian, Giovanna Fronzoni, et al.
The Journal of Physical Chemistry Letters
|
March 2, 2018
Au<sub>279</sub>(SR)<sub>84</sub>: The Smallest Gold Thiolate Nanocrystal That Is Metallic and the Birth of Plasmon
Naga Arjun Sakthivel, Mauro Stener, Luca Sementa, et al.
Page
of 8
Search research articles
Search
Showing results (21-30 of 71) with videos related to
Sort By:
Page
of 8
The Journal of Chemical Physics
|
May 17, 2020
An efficient hybrid scheme for time dependent density functional theory
Marco Medves, Luca Sementa, Daniele Toffoli, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 27, 2018
Pd doping, conformational, and charge effects on the dichroic response of a monolayer protected Au<sub>38</sub>(SR)<sub>24</sub> nanocluster
Daniele Toffoli, Oscar Baseggio, Giovanna Fronzoni, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 18, 2024
Unrevealing the Nitrogen Elusive Chirality of 3-Sulfanyl and 3-Sulfinyl N-Tosyl Isoindolinones by ECD Spectra: An Experimental and Theoretical Investigation
Laura Palombi, Marta Monti, Erica Scarel, et al.
Journal of Computational Chemistry
|
March 29, 2024
Dichroism of plasmonic chiral nanoalloys by rational design
Pierpaolo D'Antoni, Daniele Toffoli, Giovanna Fronzoni, et al.
The Journal of Physical Chemistry. A
|
October 31, 2023
A Resolution of Identity Technique to Speed up TDDFT with Hybrid Functionals: Implementation and Application to the Magic Cluster Series Au<sub>8</sub>(SC<sub>6</sub>H<sub>5</sub>)<sub>4</sub> (<i>n</i> = 3-6)
Pierpaolo D'Antoni, Marco Medves, Daniele Toffoli, et al.
Dalton Transactions (Cambridge, England : 2003)
|
December 13, 2006
Evaluation of the donor ability of phenanthrolines in iridium complexes by means of synchrotron radiation photoemission spectroscopy and DFT calculations
Corrado Crotti, Erica Farnetti, Serena Filipuzzi, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 9, 2018
Au<sub>36</sub>(SePh)<sub>24</sub> nanomolecules: synthesis, optical spectroscopy and theoretical analysis
Milan Rambukwella, Le Chang, Anish Ravishanker, et al.
Inorganic Chemistry
|
November 13, 2007
Self-assembled metallacycles with pyrazine edges: a new example in which the unexpected molecular triangle prevails over the expected molecular square
Sofia Derossi, Massimo Casanova, Elisabetta Iengo, et al.
The Journal of Physical Chemistry. A
|
November 29, 2013
Fe L-edge X-ray absorption spectra of Fe(II) polypyridyl spin crossover complexes from time-dependent density functional theory
Weijie Hua, Guangjun Tian, Giovanna Fronzoni, et al.
The Journal of Physical Chemistry Letters
|
March 2, 2018
Au<sub>279</sub>(SR)<sub>84</sub>: The Smallest Gold Thiolate Nanocrystal That Is Metallic and the Birth of Plasmon
Naga Arjun Sakthivel, Mauro Stener, Luca Sementa, et al.
Page
of 8