Search research articles
Contact Us
Filters
Showing results (41-50 of 128) with videos related to
Page
of 13
Sort By:
Journal of Chemical Theory and Computation
|
April 1, 2026
Extending Conceptual DFT to Fourth Order: From Quartic Curvature to Third-Order Fukui Response
Guillaume Hoffmann, Olivier Aroule, Rémi Grincourt, et al.
Journal of Molecular Modeling
|
October 30, 2018
Combined QTAIM and ETS-NOCV investigation of the interactions in Cl<sub>n</sub>M[PhB(N<sup>t</sup>Bu)<sub>2</sub>] complexes with M = Si & Ge (n = 0), As & Sb (n = 1), Te & Po (n = 2)
Salima Lakehal, Aicha Lakehal, Malika Bouchagour, et al.
Ultramicroscopy
|
March 12, 2004
Simulation of electron energy loss near-edge structure at the Al and N K edges and Al L(23) edge in cubic aluminium nitride
J C Le Bossé, M Sennour, C Esnouf, et al.
The Journal of Chemical Physics
|
December 17, 2009
Density functional estimations of Heisenberg exchange constants in oligonuclear magnetic compounds: Assessment of density functional theory versus ab initio
Samir Zein, Mahboubeh Poor Kalhor, Liviu F Chibotaru, et al.
Journal of Molecular Modeling
|
November 19, 2025
Electrical analogy between a capacitor and the condensed linear response function
Rémi Grincourt, Olivier Aroule, Christophe Morell, et al.
Veterinary Dermatology
|
June 26, 2001
Evaluation of the dermatophyte test medium RapidVet-D
J Guillot, L Latié, M Deville, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 25, 2010
From CO2 to dimethyl carbonate with dialkyldimethoxystannanes: the key role of monomeric species
Mahboubeh Poor Kalhor, Henry Chermette, Stéphane Chambrey, et al.
Magnetic Resonance in Chemistry : MRC
|
November 25, 2010
A comparison of experimental and DFT calculations of ¹⁹⁵Pt NMR shielding trends for [PtX(n)Y(6-n)](2-) (X, Y = Cl, Br, F and I) anions
Marga R Burger, J Kramer, H Chermette, et al.
The Journal of Physical Chemistry. A
|
January 5, 2007
Description of carbo-oxocarbons and assessment of exchange-correlation functionals for the DFT description of carbo-mers
Christine Lepetit, Henry Chermette, Mickaël Gicquel, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 7, 2014
Revisiting electroaccepting and electrodonating powers: proposals for local electrophilicity and local nucleophilicity descriptors
Christophe Morell, José L Gázquez, Alberto Vela, et al.
Page
of 13
Search research articles
Search
Showing results (41-50 of 128) with videos related to
Sort By:
Page
of 13
Journal of Chemical Theory and Computation
|
April 1, 2026
Extending Conceptual DFT to Fourth Order: From Quartic Curvature to Third-Order Fukui Response
Guillaume Hoffmann, Olivier Aroule, Rémi Grincourt, et al.
Journal of Molecular Modeling
|
October 30, 2018
Combined QTAIM and ETS-NOCV investigation of the interactions in Cl<sub>n</sub>M[PhB(N<sup>t</sup>Bu)<sub>2</sub>] complexes with M = Si & Ge (n = 0), As & Sb (n = 1), Te & Po (n = 2)
Salima Lakehal, Aicha Lakehal, Malika Bouchagour, et al.
Ultramicroscopy
|
March 12, 2004
Simulation of electron energy loss near-edge structure at the Al and N K edges and Al L(23) edge in cubic aluminium nitride
J C Le Bossé, M Sennour, C Esnouf, et al.
The Journal of Chemical Physics
|
December 17, 2009
Density functional estimations of Heisenberg exchange constants in oligonuclear magnetic compounds: Assessment of density functional theory versus ab initio
Samir Zein, Mahboubeh Poor Kalhor, Liviu F Chibotaru, et al.
Journal of Molecular Modeling
|
November 19, 2025
Electrical analogy between a capacitor and the condensed linear response function
Rémi Grincourt, Olivier Aroule, Christophe Morell, et al.
Veterinary Dermatology
|
June 26, 2001
Evaluation of the dermatophyte test medium RapidVet-D
J Guillot, L Latié, M Deville, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 25, 2010
From CO2 to dimethyl carbonate with dialkyldimethoxystannanes: the key role of monomeric species
Mahboubeh Poor Kalhor, Henry Chermette, Stéphane Chambrey, et al.
Magnetic Resonance in Chemistry : MRC
|
November 25, 2010
A comparison of experimental and DFT calculations of ¹⁹⁵Pt NMR shielding trends for [PtX(n)Y(6-n)](2-) (X, Y = Cl, Br, F and I) anions
Marga R Burger, J Kramer, H Chermette, et al.
The Journal of Physical Chemistry. A
|
January 5, 2007
Description of carbo-oxocarbons and assessment of exchange-correlation functionals for the DFT description of carbo-mers
Christine Lepetit, Henry Chermette, Mickaël Gicquel, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 7, 2014
Revisiting electroaccepting and electrodonating powers: proposals for local electrophilicity and local nucleophilicity descriptors
Christophe Morell, José L Gázquez, Alberto Vela, et al.
Page
of 13