Large-Scale Benchmark of Exchange–Correlation Functionals for the Determination of Electronic Band Gaps of Solids
Borlido, Pedro, Aull, Thorsten, Huran, Ahmad W, Tran, Fabien, Marques, Miguel A. L, Botti, Silvana
Published in Journal of chemical theory and computation (10.09.2019)
Published in Journal of chemical theory and computation (10.09.2019)
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Journal Article
Two-Dimensional Noble Metal Chalcogenides in the Frustrated Snub-Square Lattice
Wang, Hai-Chen, Huran, Ahmad W., Marques, Miguel A. L., Nalabothula, Muralidhar, Wirtz, Ludger, Romestan, Zachary, Romero, Aldo H.
Published in The journal of physical chemistry letters (09.11.2023)
Published in The journal of physical chemistry letters (09.11.2023)
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Journal Article
Novel two-dimensional silicon-carbon binaries by crystal structure prediction
Borlido, Pedro, Huran, Ahmad W, Marques, Miguel A. L, Botti, Silvana
Published in Physical chemistry chemical physics : PCCP (29.04.2020)
Published in Physical chemistry chemical physics : PCCP (29.04.2020)
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Journal Article
Atomically Thin Pythagorean Tilings in Two Dimensions
Huran, Ahmad W, Wang, Hai-Chen, San-Miguel, Alfonso, Marques, Miguel A. L
Published in The journal of physical chemistry letters (27.05.2021)
Published in The journal of physical chemistry letters (27.05.2021)
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Journal Article
The Electronic Structure of Beryllium Chains
Huran, Ahmad W, Ben Amor, Nadia, Evangelisti, Stefano, Hoyau, Sophie, Leininger, Thierry, Brumas, Véronique
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.06.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.06.2018)
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Journal Article
A Quantum Mechanical Study of the k – j and k ′– j ′ Vector Correlations for the H + LiH → Li + H2 Reaction
Huran, Ahmad W, González-Sánchez, L, Gomez-Carrasco, S, Aldegunde, J
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.03.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.03.2017)
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Journal Article
A Quantum Mechanical Study of the k-j and k'-j' Vector Correlations for the H + LiH → Li + H 2 Reaction
Huran, Ahmad W, González-Sánchez, L, Gomez-Carrasco, S, Aldegunde, J
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.03.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.03.2017)
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Journal Article
Structural prediction of stabilized atomically thin tin layers
Borlido, Pedro, Huran, Ahmad W., Marques, Miguel A. L., Botti, Silvana
Published in NPJ 2D materials and applications (13.05.2019)
Published in NPJ 2D materials and applications (13.05.2019)
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Journal Article
Computing the position-spread tensor in the CAS-SCF formalism II: Spin partition
Huran, Ahmad W., Leininger, Thierry, Bendazzoli, Gian Luigi, Evangelisti, Stefano
Published in Chemical physics letters (01.11.2016)
Published in Chemical physics letters (01.11.2016)
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Journal Article
Spherical aromaticity and electron delocalization in $${\text{C}}_8$$ C 8 and $${\text{B}}_4{\text{N}}_4$$ B 4 N 4 cubic systems
Chaglayan, Buse, Huran, Ahmad W., Ben Amor, Nadia, Brumas, Véronique, Evangelisti, Stefano, Leininger, Thierry
Published in Theoretical chemistry accounts (01.01.2019)
Published in Theoretical chemistry accounts (01.01.2019)
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Journal Article
A Quantum Mechanical Study of the k-j and k'-j' Vector Correlations for the H + LiH arrow right Li + H sub(2) Reaction
Huran, Ahmad W, Gonzalez-Sanchez, L, Gomez-Carrasco, S, Aldegunde, J
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.03.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.03.2017)
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Journal Article
Two-Dimensional Noble Metal Chalcogenides in the Frustrated Snub-Square Lattice
Wang, Hai-Chen, Huran, Ahmad W, Marques, Miguel A. L, Nalabothula, Muralidhar, Wirtz, Ludger, Romestan, Zachary, Romero, Aldo H
Year of Publication 18.10.2023
Year of Publication 18.10.2023
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Journal Article