E-LIB Suche - Ergebnisse für: Huran, Ahmad W.

1

Two-Dimensional Noble Metal Chalcogenides in the Frustrated..:

Wang, Hai-Chen ; Huran, Ahmad W. ; Marques, Miguel A. L....
The Journal of Physical Chemistry Letters. 14 (2023) 44 - p. 9969-9977 , 2023

Link: https://doi.org/10.1021/..

2

Atomically Thin Pythagorean Tilings in Two Dimensions:

Huran, Ahmad W. ; Wang, Hai-Chen ; San-Miguel, Alfonso.
The Journal of Physical Chemistry Letters. 12 (2021) 20 - p. 4972-4979 , 2021

Link: https://doi.org/10.1021/..

3

Two-dimensional binary metal-oxide quasicrystal approximant:

Huran, Ahmad W ; Wang, Hai-Chen ; Marques, Miguel A L
2D Materials. 8 (2021) 4 - p. 045002 , 2021

Link: https://doi.org/10.1088/..

4

Novel two-dimensional silicon–carbon binaries by crystal st..:

Borlido, Pedro ; Huran, Ahmad W. ; Marques, Miguel A. L..
Physical Chemistry Chemical Physics. 22 (2020) 16 - p. 8442-8449 , 2020

Link: https://doi.org/10.1039/..

5

Exchange-correlation functionals for band gaps of solids: b..:

Borlido, Pedro ; Schmidt, Jonathan ; Huran, Ahmad W....
npj Computational Materials. 6 (2020) 1 - p. , 2020

Link: https://doi.org/10.1038/..

6

Tight‐Binding Parameterizations of Ti and Ba Oxides and The..:

Huran, Ahmad W. ; Marques, Miguel A. L.
physica status solidi (b). 257 (2019) 7 - p. , 2019

Link: https://doi.org/10.1002/..

7

Structural prediction of stabilized atomically thin tin lay..:

Borlido, Pedro ; Huran, Ahmad W. ; Marques, Miguel A. L..
npj 2D Materials and Applications. 3 (2019) 1 - p. , 2019

Link: https://doi.org/10.1038/..

8

Large-Scale Benchmark of Exchange–Correlation Functionals f..:

Borlido, Pedro ; Aull, Thorsten ; Huran, Ahmad W....
Journal of Chemical Theory and Computation. 15 (2019) 9 - p. 5069-5079 , 2019

Link: https://doi.org/10.1021/..

9

Semilocal exchange-correlation potentials for solid-state c..:

Tran, Fabien ; Doumont, Jan ; Kalantari, Leila...
Journal of Applied Physics. 126 (2019) 11 - p. , 2019

Link: https://doi.org/10.1063/..

10

Efficient Automatized Density-Functional Tight-Binding Para..:

Huran, Ahmad W. ; Steigemann, Conrad ; Frauenheim, Thomas..
Journal of Chemical Theory and Computation. 14 (2018) 6 - p. 2947-2954 , 2018

Link: https://doi.org/10.1021/..

11

Spherical aromaticity and electron delocalization in $${\te..:

Chaglayan, Buse ; Huran, Ahmad W. ; Ben Amor, Nadia...
Theoretical Chemistry Accounts. 138 (2018) 1 - p. , 2018

Link: https://doi.org/10.1007/..

12

The Electronic Structure of Beryllium Chains:

Huran, Ahmad W. ; Ben Amor, Nadia ; Evangelisti, Stefano...
The Journal of Physical Chemistry A. 122 (2018) 24 - p. 5321-5332 , 2018

Link: https://doi.org/10.1021/..

13

A Quantum Mechanical Study of the k–j and k′–j′ Vector Corr..:

Huran, Ahmad W. ; González-Sánchez, L. ; Gomez-Carrasco, S..
The Journal of Physical Chemistry A. 121 (2017) 8 - p. 1535-1543 , 2017

Link: https://doi.org/10.1021/..

14

Computing the position-spread tensor in the CAS-SCF formali..:

Huran, Ahmad W. ; Leininger, Thierry ; Bendazzoli, Gian Luigi.
Chemical Physics Letters. 664 (2016) - p. 120-126 , 2016

Link: https://doi.org/10.1016/..

15

Two-Dimensional Noble Metal Chalcogenides in the Frustrated..:

Wang, Hai-Chen ; Huran, Ahmad W ; Marques, Miguel A L...
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.3c02131. , 2023

Link: https://orbilu.uni.lu/ha..