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1

Electronic Structure of F-Doped Bulk Rutile, Anatase, and Brookite Polymorphs of TiO 2

Tosoni, Sergio, Lamiel-Garcia, Oriol, Fernandez Hevia, Daniel, Doña, José Miguel, Illas, Francesc

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 4.23 MB

english, 2012

2

Theoretical Study of Atomic Fluorine Diffusion through Bulk TiO 2 Polymorphs

Tosoni, Sergio, Lamiel-Garcia, Oriol, Fernandez Hevia, Daniel, Illas, Francesc

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 4.77 MB

english, 2013

3

Local anaesthesia with IV sedation using propofol good value

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 149 KB

english, 2000

4

Japan to reimburse Helicobacter pylori triple therapy

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

File:

PDF, 149 KB

2000

5

Big savings with CHF DM programme

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 136 KB

english, 2000

6

Spain utilises prescribing protocol for interferon-Β-1b

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 137 KB

english, 2000

7

Ganciclovir or valaciclovir as best choice for managing CMV?

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 136 KB

english, 2000

8

Poor quality of care for elderly US beneficiaries

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 136 KB

english, 2000

9

New DM technology working on the Internet

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 118 KB

english, 2000

10

Lamotrigine for newly diagnosed epilepsy too costly?

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 136 KB

english, 2000

11

Syphilis screen-and-treat programme good value for money

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 118 KB

english, 2000

12

Predicting antihypertensive drug use and costs in the US

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 118 KB

english, 2000

13

British antimicrobial guidelines for endocarditis updated

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

1998

Language:

english

File:

PDF, 106 KB

english, 1998

14

Alendronic acid too costly for prevention of corticosteroid-induced osteoporosis?

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 119 KB

english, 2000

15

Oral contraceptive prescribing still below `pre-scare' levels in UK

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

File:

PDF, 149 KB

2000

16

Propofol: new generic formulation less painful, less costly

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 149 KB

english, 2000

17

Savings from generic substitution not as expected in France

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

File:

PDF, 149 KB

2000

18

Mental illness in US elderly associated with high healthcare costs

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 149 KB

english, 2000

19

Paediatric prescribing …

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

1999

Language:

english

File:

PDF, 123 KB

english, 1999

20

US national coverage policy announced for verteporfin

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 149 KB

english, 2000

21

Using cost-effectiveness data in decision-making

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 156 KB

english, 2000

22

Pharmaceutical care does not increase total healthcare cost

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 136 KB

english, 2000

23

Low-energy nanoscale clusters of (TiC)nn

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2013

Language:

english

File:

PDF, 408 KB

english, 2013

24

Inappropriate antibacterial prescribing common in US EDs

Lamiel-Garcia, Oriol, Bromley, Stefan T., Illas, Francesc

Journal:

PharmacoEconomics & Outcomes News

Year:

2000

Language:

english

File:

PDF, 118 KB

english, 2000

25

Theoretical study of the Fluorine doped anatase surfaces

Ortega, Yanaris, Lamiel-Garcia, Oriol, Hevia, Daniel Fernandez, Tosoni, Sergio, Oviedo, Jaime, San-Miguel, Miguel Angel, Illas, Francesc

Journal:

Surface Science

Year:

2013

Language:

english

File:

PDF, 517 KB

english, 2013

26

Relative Stability of F-Covered TiO 2 Anatase (101) and (001) Surfaces from Periodic DFT Calculations and ab Initio Atomistic Thermodynamics

Lamiel-Garcia, Oriol, Tosoni, Sergio, Illas, Francesc

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 2.63 MB

english, 2014

27

Morphology effects in photoactive ZnO nanostructures: photooxidative activity of polar surfaces

Iglesias-Juez, Ana, Viñes, Francesc, Lamiel-García, Oriol, Fernández-García, Marcos, Illas, Francesc

Journal:

Journal of Materials Chemistry A

Year:

2015

Language:

english

File:

PDF, 868 KB

english, 2015

28

Adsorption properties of trifluoroacetic acid on anatase (101) and (001) surfaces: A density functional theory study

Lamiel-Garcia, Oriol, Fernández-Hevia, Daniel, Caballero, Amador C, Illas, Francesc

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.16 MB

english, 2015

29

Performance of a Modified Hybrid Functional in the Simultaneous Description of Stoichiometric and Reduced TiO 2 polymorphs

Illas, Francesc, LEE, JIN YONG, Ko, Kyoung Chul, Lamiel-Garcia, Oriol

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.40 MB

english, 2016

30

Effect of Size and Structure on the Ground and Excited State Electronic Structure of TiO 2 Nanoparticles

Cho, Daeheum, Ko, Kyoung Chul, Lamiel-Garcia, Oriol, Bromley, Stefan Thomas, Lee, Jin Yong, Illas, Francesc

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 1.86 MB

english, 2016

31

Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxides

Viñes, Francesc, Lamiel-García, Oriol, Chul Ko, Kyoung, Yong Lee, Jin, Illas, Francesc

Journal:

Journal of Computational Chemistry

Year:

2017

Language:

english

File:

PDF, 571 KB

english, 2017

32

When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO 2 Nanoparticles in the 1–6 nm Size Range from All Electron Relativistic Density Functional Theory Based Calculations

Lamiel-Garcia, Oriol, Ko, Kyoung Chul, Lee, Jin Yong, Bromley, Stefan T., Illas, Francesc

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 1.57 MB

english, 2017

33

Size dependent structural and polymorphic transitions in ZnO: from nanocluster to bulk

Viñes, Francesc, Lamiel-Garcia, Oriol, Illas, Francesc, Bromley, Stefan T.

Journal:

Year:

2017

Language:

english

File:

PDF, 1.04 MB

english, 2017

34

Correction to Effect of Size and Structure on the Ground-State and Excited-State Electronic Structure of TiO 2 Nanoparticles

Cho, Daeheum, Ko, Kyoung Chul, Lamiel-García, Oriol, Bromley, Stefan T., Lee, Jin Yong, Illas, Francesc

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 293 KB

english, 2017

35

Properties of Single Oxygen Vacancies on a Realistic (TiO 2 ) 84 Nanoparticle: A Challenge for Density Functionals

Morales-García, Ángel, Lamiel-Garcia, Oriol, Valero, Rosendo, Illas, Francesc

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 1015 KB

english, 2018

36

Approaching the Quantitative Description of Enantioselective Adsorption by Density Functional Theory Means

Viñes, Francesc, Lamiel-Garcia, Oriol

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 14.59 MB

english, 2019