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Physical Chemistry Chemical Physics : PCCP
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September 6, 2018
The electronic structure and stability of germanium tubes Ge<sub>30</sub>H<sub>12</sub> and Ge<sub>33</sub>H<sub>12</sub>
Long Van Duong, Eduard Matito, Miquel Solà, et al.
Inorganic Chemistry
|
September 19, 2024
From (Sub)Porphyrins to (Sub)Phthalocyanines: Aromaticity Signatures in the UV-Vis Absorption Spectra
Sílvia Escayola, Jorge Labella, Dariusz W Szczepanik, et al.
Angewandte Chemie (International Ed. in English)
|
November 15, 2017
Transition-Metal π-Ligation of a Tetrahalodiborane
Holger Braunschweig, Rian D Dewhurst, J Oscar C Jiménez-Halla, et al.
Journal of Chemical Theory and Computation
|
April 3, 2024
Spurious Oscillations Caused by Density Functional Approximations: Who is to Blame? Exchange or Correlation?
Sebastian P Sitkiewicz, Rubén R Ferradás, Eloy Ramos-Cordoba, et al.
The Journal of Physical Chemistry. A
|
June 25, 2011
Ab initio design of chelating ligands relevant to Alzheimer's disease: influence of metalloaromaticity
Albert Rimola, Jorge Alí-Torres, Cristina Rodríguez-Rodríguez, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Scalar and Spin-Orbit Relativistic Corrections to the NICS and the Induced Magnetic Field: The case of the E12(2-) Spherenes (E = Ge, Sn, Pb)
Abril Carolina Castro, Edison Osorio, J Oscar C Jiménez-Halla, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2024
Unveiling the quantum secrets of triel metal triangles: a tale of stability, aromaticity, and relativistic effects
Sílvia Escayola, Elisa Jimenez-Izal, Eduard Matito, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 18, 2020
Performance of DFT functionals for calculating the second-order nonlinear optical properties of dipolar merocyanines
Laurie Lescos, Sebastian P Sitkiewicz, Pierre Beaujean, et al.
Dalton Transactions (Cambridge, England : 2003)
|
December 11, 2014
A theoretical study of the aromaticity in neutral and anionic borole compounds
J Oscar C Jimenez-Halla, Eduard Matito, Miquel Solà, et al.
Journal of Chemical Theory and Computation
|
January 26, 2022
Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations
Marta Chołuj, Md Mehboob Alam, Maarten T P Beerepoot, et al.
Page
of 10
Search research articles
Search
Showing results (81-90 of 99) with videos related to
Sort By:
Page
of 10
Physical Chemistry Chemical Physics : PCCP
|
September 6, 2018
The electronic structure and stability of germanium tubes Ge<sub>30</sub>H<sub>12</sub> and Ge<sub>33</sub>H<sub>12</sub>
Long Van Duong, Eduard Matito, Miquel Solà, et al.
Inorganic Chemistry
|
September 19, 2024
From (Sub)Porphyrins to (Sub)Phthalocyanines: Aromaticity Signatures in the UV-Vis Absorption Spectra
Sílvia Escayola, Jorge Labella, Dariusz W Szczepanik, et al.
Angewandte Chemie (International Ed. in English)
|
November 15, 2017
Transition-Metal π-Ligation of a Tetrahalodiborane
Holger Braunschweig, Rian D Dewhurst, J Oscar C Jiménez-Halla, et al.
Journal of Chemical Theory and Computation
|
April 3, 2024
Spurious Oscillations Caused by Density Functional Approximations: Who is to Blame? Exchange or Correlation?
Sebastian P Sitkiewicz, Rubén R Ferradás, Eloy Ramos-Cordoba, et al.
The Journal of Physical Chemistry. A
|
June 25, 2011
Ab initio design of chelating ligands relevant to Alzheimer's disease: influence of metalloaromaticity
Albert Rimola, Jorge Alí-Torres, Cristina Rodríguez-Rodríguez, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Scalar and Spin-Orbit Relativistic Corrections to the NICS and the Induced Magnetic Field: The case of the E12(2-) Spherenes (E = Ge, Sn, Pb)
Abril Carolina Castro, Edison Osorio, J Oscar C Jiménez-Halla, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2024
Unveiling the quantum secrets of triel metal triangles: a tale of stability, aromaticity, and relativistic effects
Sílvia Escayola, Elisa Jimenez-Izal, Eduard Matito, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 18, 2020
Performance of DFT functionals for calculating the second-order nonlinear optical properties of dipolar merocyanines
Laurie Lescos, Sebastian P Sitkiewicz, Pierre Beaujean, et al.
Dalton Transactions (Cambridge, England : 2003)
|
December 11, 2014
A theoretical study of the aromaticity in neutral and anionic borole compounds
J Oscar C Jimenez-Halla, Eduard Matito, Miquel Solà, et al.
Journal of Chemical Theory and Computation
|
January 26, 2022
Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations
Marta Chołuj, Md Mehboob Alam, Maarten T P Beerepoot, et al.
Page
of 10