davide tiana
Title
Cited by
Cited by
Year
Engineering the optical response of the titanium-MIL-125 metal–organic framework through ligand functionalization
CH Hendon, D Tiana, M Fontecave, C Sanchez, L D’arras, C Sassoye, ...
Journal of the American Chemical Society 135 (30), 10942-10945, 2013
5162013
Conductive metal–organic frameworks and networks: fact or fantasy?
CH Hendon, D Tiana, A Walsh
Physical Chemistry Chemical Physics 14 (38), 13120-13132, 2012
2492012
Rapid, selective heavy metal removal from water by a metal–organic framework/polydopamine composite
DT Sun, L Peng, WS Reeder, SM Moosavi, D Tiana, DK Britt, E Oveisi, ...
ACS central science 4 (3), 349-356, 2018
1922018
Experimental and theoretical charge density studies at subatomic resolution
A Fischer, D Tiana, W Scherer, K Batke, G Eickerling, H Svendsen, ...
The Journal of Physical Chemistry A 115 (45), 13061-13071, 2011
952011
Transferable force field for metal–organic frameworks from first-principles: BTW-FF
JK Bristow, D Tiana, A Walsh
Journal of chemical theory and computation 10 (10), 4644-4652, 2014
842014
Bonding in classical and nonclassical transition metal carbonyls: the interacting quantum atoms perspective
D Tiana, E Francisco, MA Blanco, P Macchi, A Sironi, A Martín Pendás
Journal of chemical theory and computation 6 (4), 1064-1074, 2010
732010
Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors
JM Skelton, D Tiana, SC Parker, A Togo, I Tanaka, A Walsh
The Journal of chemical physics 143 (6), 064710, 2015
622015
Helical frontier orbitals of conjugated linear molecules
CH Hendon, D Tiana, AT Murray, DR Carbery, A Walsh
Chemical Science 4 (11), 4278-4284, 2013
562013
Ligand design for long-range magnetic order in metal–organic frameworks
D Tiana, CH Hendon, A Walsh
Chemical Communications 50 (90), 13990-13993, 2014
492014
Restoring orbital thinking from real space descriptions: bonding in classical and non-classical transition metal carbonyls
D Tiana, E Francisco, MA Blanco, P Macchi, A Sironi, AM Pendás
Physical Chemistry Chemical Physics 13 (11), 5068-5077, 2011
412011
Mixed-linker UiO-66: structure–property relationships revealed by a combination of high-resolution powder X-ray diffraction and density functional theory calculations
M Taddei, D Tiana, N Casati, JA Van Bokhoven, B Smit, M Ranocchiari
Physical Chemistry Chemical Physics 19 (2), 1551-1559, 2017
382017
Water-Based Synthesis and Enhanced CO2 Capture Performance of Perfluorinated Cerium-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Topology
R D’Amato, A Donnadio, M Carta, C Sangregorio, D Tiana, R Vivani, ...
ACS Sustainable Chemistry & Engineering 7 (1), 394-402, 2018
372018
A universal chemical potential for sulfur vapours
AJ Jackson, D Tiana, A Walsh
Chemical science 7 (2), 1082-1092, 2016
372016
Band gap modulation in zirconium-based metal–organic frameworks by defect engineering
M Taddei, GM Schukraft, MEA Warwick, D Tiana, MJ McPherson, ...
Journal of Materials Chemistry A 7 (41), 23781-23786, 2019
342019
Free Energy of Ligand Removal in the Metal–Organic Framework UiO-66
JK Bristow, KL Svane, D Tiana, JM Skelton, JD Gale, A Walsh
The Journal of Physical Chemistry C 120 (17), 9276-9281, 2016
342016
Defect chemistry of Ti and Fe impurities and aggregates in Al 2 O 3
JK Bristow, D Tiana, SC Parker, A Walsh
Journal of Materials Chemistry A 2 (17), 6198-6208, 2014
262014
Thermodynamic and electronic properties of tunable II–VI and IV–VI semiconductor based metal–organic frameworks from computational chemistry
CH Hendon, D Tiana, TP Vaid, A Walsh
Journal of Materials Chemistry C 1 (1), 95-100, 2013
262013
Using pseudopotentials within the interacting quantum atoms approach
D Tiana, E Francisco, MA Blanco, AM Pendas
The Journal of Physical Chemistry A 113 (27), 7963-7971, 2009
252009
Computational screening of structural and compositional factors for electrically conductive coordination polymers
D Tiana, CH Hendon, A Walsh, TP Vaid
Physical Chemistry Chemical Physics 16 (28), 14463-14472, 2014
242014
Adsorbate-induced lattice deformation in IRMOF-74 series
S Jawahery, CM Simon, E Braun, M Witman, D Tiana, B Vlaisavljevich, ...
Nature communications 8 (1), 1-9, 2017
232017
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