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Physical Chemistry Chemical Physics : PCCP
|
May 15, 2024
Symmetry and reactivity of π-systems in electric and magnetic fields: a perspective from conceptual DFT
Meilani Wibowo-Teale, Bang C Huynh, Andrew M Wibowo-Teale, et al.
Journal of Nanoscience and Nanotechnology
|
November 14, 2009
Local aromaticity of pristine and fluorinated carbon nanotubes
Sílvia Osuna, Miquel Torrent-Sucarrat, Christopher P Ewels, et al.
Plos Computational Biology
|
August 14, 2009
How thioredoxin dissociates its mixed disulfide
Goedele Roos, Nicolas Foloppe, Koen Van Laer, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 26, 2011
Validation of DFT-based methods for predicting qualitative thermochemistry of large polyaromatics
Karen Hemelsoet, Freija De Vleeschouwer, Veronique Van Speybroeck, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 15, 2020
Switching between Hückel and Möbius aromaticity: a density functional theory and information-theoretic approach study
Donghai Yu, Chunying Rong, Tian Lu, et al.
Organic & Biomolecular Chemistry
|
September 13, 2003
Ab initio study of the binding of Trichostatin A (TSA) in the active site of histone deacetylase like protein (HDLP)
Kenno Vanommeslaeghe, Christian Van Alsenoy, Frank De Proft, et al.
Chembiochem : a European Journal of Chemical Biology
|
April 12, 2006
The activation of electrophile, nucleophile and leaving group during the reaction catalysed by pI258 arsenate reductase
Goedele Roos, Stefan Loverix, Elke Brosens, et al.
Journal of Chemical Theory and Computation
|
May 18, 2023
Investigating the Linear Response Function under Approximations Following the Coupled-Perturbed Approach for Atoms and Molecules
Bin Wang, Paul Geerlings, Christian Van Alsenoy, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 3, 2014
Understanding the fundamental role of π/π, σ/σ, and σ/π dispersion interactions in shaping carbon-based materials
Mercedes Alonso, Tatiana Woller, Francisco J Martín-Martínez, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Characterization of the Chemical Behavior of the Low Excited States through a Local Chemical Potential
Christophe Morell, Vanessa Labet, André Grand, et al.
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of 17
Search research articles
Search
Showing results (141-150 of 165) with videos related to
Sort By:
Page
of 17
Physical Chemistry Chemical Physics : PCCP
|
May 15, 2024
Symmetry and reactivity of π-systems in electric and magnetic fields: a perspective from conceptual DFT
Meilani Wibowo-Teale, Bang C Huynh, Andrew M Wibowo-Teale, et al.
Journal of Nanoscience and Nanotechnology
|
November 14, 2009
Local aromaticity of pristine and fluorinated carbon nanotubes
Sílvia Osuna, Miquel Torrent-Sucarrat, Christopher P Ewels, et al.
Plos Computational Biology
|
August 14, 2009
How thioredoxin dissociates its mixed disulfide
Goedele Roos, Nicolas Foloppe, Koen Van Laer, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 26, 2011
Validation of DFT-based methods for predicting qualitative thermochemistry of large polyaromatics
Karen Hemelsoet, Freija De Vleeschouwer, Veronique Van Speybroeck, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 15, 2020
Switching between Hückel and Möbius aromaticity: a density functional theory and information-theoretic approach study
Donghai Yu, Chunying Rong, Tian Lu, et al.
Organic & Biomolecular Chemistry
|
September 13, 2003
Ab initio study of the binding of Trichostatin A (TSA) in the active site of histone deacetylase like protein (HDLP)
Kenno Vanommeslaeghe, Christian Van Alsenoy, Frank De Proft, et al.
Chembiochem : a European Journal of Chemical Biology
|
April 12, 2006
The activation of electrophile, nucleophile and leaving group during the reaction catalysed by pI258 arsenate reductase
Goedele Roos, Stefan Loverix, Elke Brosens, et al.
Journal of Chemical Theory and Computation
|
May 18, 2023
Investigating the Linear Response Function under Approximations Following the Coupled-Perturbed Approach for Atoms and Molecules
Bin Wang, Paul Geerlings, Christian Van Alsenoy, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 3, 2014
Understanding the fundamental role of π/π, σ/σ, and σ/π dispersion interactions in shaping carbon-based materials
Mercedes Alonso, Tatiana Woller, Francisco J Martín-Martínez, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Characterization of the Chemical Behavior of the Low Excited States through a Local Chemical Potential
Christophe Morell, Vanessa Labet, André Grand, et al.
Page
of 17