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1.
Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a multi-level computational approach.
Phys Chem Chem Phys
; 25(3): 2523-2536, 2023 Jan 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-36602108
2.
Chasing unphysical TD-DFT excited states in transition metal complexes with a simple diagnostic tool.
J Chem Phys
; 154(20): 204102, 2021 May 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-34241186
3.
Following the evolution of excited states along photochemical reaction pathways.
J Comput Chem
; 41(12): 1156-1164, 2020 May 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-32003908
4.
Automated parameterization of quantum-mechanically derived force-fields including explicit sigma holes: A pathway to energetic and structural features of halogen bonds in gas and condensed phase.
J Chem Phys
; 153(4): 044106, 2020 Jul 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-32752684
5.
Excited state tracking during the relaxation of coordination compounds.
J Comput Chem
; 40(14): 1420-1428, 2019 05 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-30801766
6.
Using density based indexes to characterize excited states evolution.
J Comput Chem
; 40(4): 650-656, 2019 Feb 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-30549077
7.
Coupled hydroxyl and ether functionalisation in EAN derivatives: the effect of hydrogen bond donor/acceptor groups on the structural heterogeneity studied with X-ray diffractions and fixed charge/polarizable simulations.
Phys Chem Chem Phys
; 21(21): 11464-11475, 2019 Jun 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-31112158
8.
How are the charge transfer descriptors affected by the quality of the underpinning electronic density?
J Comput Chem
; 39(12): 735-742, 2018 May 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-29322526
9.
Using Density Based Indexes and Wave Function Methods for the Description of Excited States: Excited State Proton Transfer Reactions as a Test Case.
J Phys Chem A
; 122(1): 375-382, 2018 Jan 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-29232519
10.
Structure and dynamics of propylammonium nitrate-acetonitrile mixtures: An intricate multi-scale system probed with experimental and theoretical techniques.
J Chem Phys
; 148(13): 134507, 2018 Apr 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-29626911
11.
Charge transfer excitations in TDDFT: A ghost-hunter index.
J Comput Chem
; 38(25): 2151-2156, 2017 09 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-28763141
12.
Unexpected proton mobility in the bulk phase of cholinium-based ionic liquids: new insights from theoretical calculations.
Phys Chem Chem Phys
; 19(19): 11869-11880, 2017 May 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-28435968
13.
Theoretical study of ionic liquids based on the cholinium cation. Ab initio simulations of their condensed phases.
J Chem Phys
; 144(10): 104504, 2016 Mar 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-26979694
14.
Two different models to predict ionic-liquid diffraction patterns: fixed-charge versus polarizable potentials.
Chemphyschem
; 16(1): 197-203, 2015 Jan 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-25359089
15.
Cholinium-amino acid based ionic liquids: a new method of synthesis and physico-chemical characterization.
Phys Chem Chem Phys
; 17(32): 20687-98, 2015 Aug 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-26206450
16.
Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics.
J Chem Phys
; 143(11): 114506, 2015 Sep 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-26395718
17.
Efficacy of transurethral botulinum toxin A injections for bladder outlet obstruction: A systematic review and meta-analysis.
Urologia
; : 3915603241228166, 2024 Feb 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-38372240
18.
Etiology, presentation and management of urinary tract infections in multiple sclerosis patients: A review of the current literature.
Urologia
; 91(2): 384-393, 2024 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-38279809
19.
Robot-Assisted Radical Prostatectomy Performed with the Novel Hugo™ RAS System: A Systematic Review and Pooled Analysis of Surgical, Oncological, and Functional Outcomes.
J Clin Med
; 13(9)2024 Apr 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-38731080
20.
Robot-Assisted Radical Prostatectomy Performed with the Novel Surgical Robotic Platform Hugo™ RAS: Monocentric First Series of 132 Cases Reporting Surgical, and Early Functional and Oncological Outcomes at a Tertiary Referral Robotic Center.
Cancers (Basel)
; 16(8)2024 Apr 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-38672683