Các bài viết có thể truy cập công khai - Stijn FiasTìm hiểu thêm
Không có ở bất kỳ nơi nào: 16
Uniqueness and basis set dependence of iterative Hirshfeld charges
P Bultinck, PW Ayers, S Fias, K Tiels, C Van Alsenoy
Chemical physics letters 444 (1), 205-208, 2007
Các cơ quan ủy nhiệm: Research Foundation (Flanders)
Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges
S Van Damme, P Bultinck, S Fias
Journal of Chemical Theory and Computation 5 (2), 334-340, 2009
Các cơ quan ủy nhiệm: Research Foundation (Flanders)
Back of the Envelope Selection Rule for Molecular Transmission: A Curly Arrow Approach
T Stuyver, S Fias, F De Proft, P Geerlings
The Journal of Physical Chemistry C 119 (47), 26390-26400, 2015
Các cơ quan ủy nhiệm: Research Foundation (Flanders)
Analysis of Aromaticity in Planar Metal Systems using the Linear Response Kernel.
S Fias, Z Boisdenghien, T Stuyver, M Audiffred, G Merino, P Geerlings, ...
The Journal of Physical Chemistry A 117 (16), 3556-3560, 2013
Các cơ quan ủy nhiệm: Research Foundation (Flanders)
The axiomatic approach to chemical concepts
PW Ayers, S Fias, F Heidar-Zadeh
Computational and Theoretical Chemistry 1142, 83-87, 2018
Các cơ quan ủy nhiệm: Natural Sciences and Engineering Research Council of Canada, European Commission
Evaluating and interpreting the chemical relevance of the linear response kernel for atoms II: open shell
Z Boisdenghien, S Fias, C Van Alsenoy, F De Proft, P Geerlings
Physical Chemistry Chemical Physics 16 (28), 14614-14624, 2014
Các cơ quan ủy nhiệm: Research Foundation (Flanders)
Evidence from current-density mapping for σ-delocalisation in the aromatic hexaiodobenzene cation
RWA Havenith, PW Fowler, S Fias, P Bultinck
Tetrahedron Letters 49 (8), 1421-1424, 2008
Các cơ quan ủy nhiệm: Research Foundation (Flanders)
Qualitative Insights into the Transport Properties of Hückel/Möbius (Anti) Aromatic Compounds: Application to Expanded Porphyrins
T Stuyver, S Fias, P Geerlings, F De Proft, M Alonso
The Journal of Physical Chemistry C, 2018
Các cơ quan ủy nhiệm: Research Foundation (Flanders), European Commission
The polarisability of atoms and molecules: a comparison between a conceptual density functional theory approach and time-dependent density functional theory
Z Boisdenghien, S Fias, F Da Pieve, F De Proft, P Geerlings
Molecular Physics 113 (13-14), 1890-1898, 2015
Các cơ quan ủy nhiệm: Research Foundation (Flanders), European Commission
The local response of global descriptors
F Heidar-Zadeh, S Fias, E Vöhringer-Martinez, T Verstraelen, PW Ayers
Theoretical Chemistry Accounts 136 (1), 19, 2017
Các cơ quan ủy nhiệm: Research Foundation (Flanders), Natural Sciences and Engineering Research …
The E= E [N, v] functional and the linear response function: a conceptual DFT viewpoint
P Geerlings, Z Boisdenghien, FD Proft, S Fias
Theoretical Chemistry Accounts 135 (9), 1-8, 2016
Các cơ quan ủy nhiệm: Research Foundation (Flanders)
A reference‐free stockholder partitioning method based on the force on electrons
S Fias, F Heidar‐Zadeh, JSM Anderson, PW Ayers, RG Parr
Journal of computational chemistry 39 (17), 1044-1050, 2018
Các cơ quan ủy nhiệm: Natural Sciences and Engineering Research Council of Canada, European Commission
Properties of the density functional response kernels and its implications on chemistry
S Fias, PW Ayers, F De Proft, P Geerlings
The Journal of Chemical Physics 157 (11), 114102, 2022
Các cơ quan ủy nhiệm: Natural Sciences and Engineering Research Council of Canada, European Commission
Extension of the source-sink potential approach to Hartree-Fock and density functional theory: A new tool to visualize the ballistic current through molecules
S Fias, T Stuyver
The Journal of Chemical Physics 147 (18), 184102, 2017
Các cơ quan ủy nhiệm: Research Foundation (Flanders), European Commission
Ring currents and their origin in the modified all-metal aromatics, CAl42-and CGa42
S Fias, P Geerlings, F De Proft
Computational and Theoretical Chemistry 1022, 108-114, 2013
Các cơ quan ủy nhiệm: Research Foundation (Flanders)
A Polynomial-Scaling Algorithm for Computing the Probability of 2bserving Speci¿ ed Numbers of Electrons in Multiple Domains Using Correlation Functions
PW Ayers, G Acke, S Fias, D Chakraborty, P Bultinck
Theoretical and Quantum Chemistry at the Dawn of the 21st Century, 133-160, 2018
Các cơ quan ủy nhiệm: Research Foundation (Flanders), Natural Sciences and Engineering Research …
Có tại một số nơi: 23
Critical thoughts on computing atom condensed Fukui functions
P Bultinck, S Fias, C Van Alsenoy, PW Ayers, R Carbó-Dorca
The Journal of chemical physics 127 (3), 034102, 2007
Các cơ quan ủy nhiệm: Research Foundation (Flanders)
Conceptual DFT: chemistry from the linear response function
P Geerlings, S Fias, Z Boisdenghien, F De Proft
Chemical Society Reviews 43 (14), 4989-5008, 2014
Các cơ quan ủy nhiệm: Research Foundation (Flanders)
Correlation of Delocalization Indices and Current‐Density Maps in Polycyclic Aromatic Hydrocarbons
S Fias, PW Fowler, JL Delgado, U Hahn, P Bultinck
Chemistry-A European Journal 14 (10), 3093-3099, 2008
Các cơ quan ủy nhiệm: Research Foundation (Flanders)
Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons
S Fias, S Van Damme, P Bultinck
Journal of computational chemistry 29 (3), 358-366, 2008
Các cơ quan ủy nhiệm: Research Foundation (Flanders)
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