关注
Ferran Feixas
Ferran Feixas
Institut de Química Computacional i Catàlisi (IQCC). University of Girona (Spain)
在 udg.edu 的电子邮件经过验证 - 首页
标题
引用次数
引用次数
年份
Quantifying aromaticity with electron delocalisation measures
F Feixas, E Matito, J Poater, M Solà
Chemical Society Reviews 44 (18), 6434-6451, 2015
3952015
On the performance of some aromaticity indices: a critical assessment using a test set
F Feixas, E Matito, J Poater, M Solà
Journal of computational chemistry 29 (10), 1543-1554, 2008
3162008
Exploring the role of receptor flexibility in structure-based drug discovery
F Feixas, S Lindert, W Sinko, JA McCammon
Biophysical chemistry 186, 31-45, 2014
1702014
Accelerated molecular dynamics simulations of protein folding
Y Miao, F Feixas, C Eun, JA McCammon
Journal of computational chemistry 36 (20), 1536-1549, 2015
1662015
Intrinsic enzymatic properties modulate the self-propulsion of micromotors
X Arqué, A Romero-Rivera, F Feixas, T Patiño, S Osuna, S Sánchez
Nature Communications 10 (1), 2826, 2019
1522019
Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds
F Feixas, J Vandenbussche, P Bultinck, E Matito, M Solà
Physical Chemistry Chemical Physics 13 (46), 20690-20703, 2011
1352011
Electron localization function at the correlated level: a natural orbital formulation
F Feixas, E Matito, M Duran, M Solà, B Silvi
Journal of Chemical Theory and Computation 6 (9), 2736-2742, 2010
1352010
A critical assessment of the performance of magnetic and electronic indices of aromaticity
M Solà, F Feixas, JOC Jiménez-Halla, E Matito, J Poater
Symmetry 2 (2), 1156-1179, 2010
1342010
Aromaticity of distorted benzene rings: exploring the validity of different indicators of aromaticity
F Feixas, E Matito, J Poater, M Sola
The Journal of Physical Chemistry A 111 (20), 4513-4521, 2007
1262007
Metalloaromaticity
F Feixas, E Matito, J Poater, M Solà
Wiley Interdisciplinary Reviews: Computational Molecular Science 3 (2), 105-122, 2013
1242013
A test to evaluate the performance of aromaticity descriptors in all-metal and semimetal clusters. An appraisal of electronic and magnetic indicators of aromaticity
F Feixas, JOC Jimenez-Halla, E Matito, J Poater, M Sola
Journal of Chemical Theory and Computation 6 (4), 1118-1130, 2010
1052010
Unraveling factors leading to efficient norbornadiene–quadricyclane molecular solar-thermal energy storage systems
K Jorner, A Dreos, R Emanuelsson, O El Bakouri, IF Galvan, K Börjesson, ...
Journal of Materials Chemistry A 5 (24), 12369-12378, 2017
882017
p38γ is essential for cell cycle progression and liver tumorigenesis
A Tomas-Loba, E Manieri, B Gonzalez-Teran, A Mora, L Leiva-Vega, ...
Nature 568 (7753), 557-560, 2019
862019
A dissected ring current model for assessing magnetic aromaticity: A general approach for both organic and inorganic rings
C Foroutan‐Nejad, S Shahbazian, F Feixas, P Rashidi‐Ranjbar, M Solà
Journal of Computational Chemistry 32 (11), 2422-2431, 2011
702011
Aromaticity and electronic delocalization in all-metal clusters with single, double, and triple aromatic character
F Feixas, E Matito, M Duran, J Poater, M Sola
Theoretical Chemistry Accounts 128, 419-431, 2011
642011
Electron delocalization and aromaticity measures within the Hückel molecular orbital method
E Matito, F Feixas, M Sola
Journal of Molecular Structure: THEOCHEM 811 (1-3), 3-11, 2007
592007
6.3 Is the Aromaticity of the Benzene Ring in the (η 6− C6H6) Cr (CO) 3 Complex Larger than that of the Isolated Benzene Molecule?
F Feixas, JOC Jiménez-Halla, E Matito, J Poater, M Sola, J Pol
ANALYSIS OF CHEMICAL BONDING AND AROMATICITY FROM ELECTRONIC DELOCALIZATION …, 2007
512007
Undecaprenyl diphosphate synthase inhibitors: antibacterial drug leads
W Sinko, Y Wang, W Zhu, Y Zhang, F Feixas, CL Cox, DA Mitchell, ...
Journal of medicinal chemistry 57 (13), 5693-5701, 2014
472014
Analysis of Hückel’s [4n + 2] Rule through Electronic Delocalization Measures
F Feixas, E Matito, M Sola, J Poater
The Journal of Physical Chemistry A 112 (50), 13231-13238, 2008
452008
New approximation to the third-order density. Application to the calculation of correlated multicenter indices
F Feixas, M Sola, JM Barroso, JM Ugalde, E Matito
Journal of chemical theory and computation 10 (8), 3055-3065, 2014
422014
系统目前无法执行此操作,请稍后再试。
文章 1–20