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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

The Journal of chemical physics, 2020-07, Vol.153 (4), p.044106-044106

2020

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Cholinium-amino acid based ionic liquids: a new method of synthesis and physico-chemical characterization

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (32), p.20687-20698

2015

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Theoretical study of ionic liquids based on the cholinium cation. Ab initio simulations of their condensed phases

The Journal of chemical physics, 2016-03, Vol.144 (10), p.104504-104504

2016

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Charge transfer excitations in TDDFT: A ghost‐hunter index

Journal of computational chemistry, 2017-09, Vol.38 (25), p.2151-2156

2017

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Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics

The Journal of chemical physics, 2015-09, Vol.143 (11), p.114506-114506

2015

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Giant piezoelectricity driven by Thouless pump in conjugated polymers

npj computational materials, 2024-04, Vol.10 (1), p.81-9, Article 81

2024

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Transalbugineal Artificial Urinary Sphincter: A Refined Implantation Technique to Improve Surgical Outcomes

Journal of clinical medicine, 2023-04, Vol.12 (8), p.3021

2023

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Is a medium-range order pre-peak possible for ionic liquids without an aliphatic chain?

RSC advances, 2015-01, Vol.5 (63), p.50938-50941

2015

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Prevalence and Antimicrobial Resistance Patterns of Hospital Acquired Infections through the COVID-19 Pandemic: Real-Word Data from a Tertiary Urological Centre

Journal of clinical medicine, 2023-11, Vol.12 (23), p.7278

2023

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11 - Transalbugineal artificial urinary sphincter: A refined implantation technique to improve surgical outcomes

Continence (Amsterdam), 2023-06, Vol.6, p.100609, Article 100609

2023

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4 - Continence outcomes post robot-assisted radical prostatectomy with the novel Hugo robotic system: A random effect pooled analysis

Continence (Amsterdam), 2024-06, Vol.10, p.101232, Article 101232

2024

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3 - Preliminary findings from a single center’s experience with Optilume® Drug-Coated Balloon in the Management of Recurrent Male Urethral Strictures and Bladder Neck Sclerosis

Continence (Amsterdam), 2024-06, Vol.10, p.101231, Article 101231

2024

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Robot-Assisted Radical Prostatectomy Performed with the Novel Hugo™ RAS System: A Systematic Review and Pooled Analysis of Surgical, Oncological, and Functional Outcomes

Journal of clinical medicine, 2024-05, Vol.13 (9), p.2551

2024

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Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a multi-level computational approach

Physical chemistry chemical physics : PCCP, 2023-01, Vol.25 (3), p.2523-2536

2023

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Quantifying partial hole-particle distance at the excited state: A revised version of the DCT index

Chemical physics letters, 2019-01, Vol.714, p.81-86

2019

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Medium range interactions evidences in compounds with aliphatic lateral chain: 1-pentanoic acid, 1-pentanol and pentylammonium nitrate as test cases

Chemical physics letters, 2019-11, Vol.734, p.136738, Article 136738

2019

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Polar magnetic metallic state in few-layer BiFeO 3

Physical review. B, 2021-11, Vol.104 (17), Article 174111

2021

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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

Physical chemistry chemical physics : PCCP, 2019-06, Vol.21 (21), p.11464-11475

2019

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Unexpected proton mobility in the bulk phase of cholinium-based ionic liquids: new insights from theoretical calculations

Physical chemistry chemical physics : PCCP, 2017-05, Vol.19 (19), p.11869-1188

2017

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An X-ray and computational study of liquid pentylammonium nitrate

Chemical physics letters, 2017-11, Vol.687, p.38-43

2017

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Low-Q peak in X-ray patterns of choline-phenylalanine and -homophenylalanine: A combined effect of chain and stacking

Chemical physics letters, 2016-09, Vol.660, p.99-101

2016

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Chasing unphysical TD-DFT excited states in transition metal complexes with a simple diagnostic tool

The Journal of chemical physics, 2021-05, Vol.154 (20), p.204102-204102

2021

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Hydrogen Bonding Features in Cholinium-Based Protic Ionic Liquids from Molecular Dynamics Simulations

The journal of physical chemistry. B, 2018-03, Vol.122 (9), p.2635-2645

2018

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Classical Force Fields Tailored for QM Applications: Is It Really a Feasible Strategy?

Journal of chemical theory and computation, 2017-10, Vol.13 (10), p.4636-4648

2017

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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

Cholinium-amino acid based ionic liquids: a new method of synthesis and physico-chemical characterization

Theoretical study of ionic liquids based on the cholinium cation. Ab initio simulations of their condensed phases

Charge transfer excitations in TDDFT: A ghost‐hunter index

Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics

Giant piezoelectricity driven by Thouless pump in conjugated polymers

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

Transalbugineal Artificial Urinary Sphincter: A Refined Implantation Technique to Improve Surgical Outcomes

Is a medium-range order pre-peak possible for ionic liquids without an aliphatic chain?

Prevalence and Antimicrobial Resistance Patterns of Hospital Acquired Infections through the COVID-19 Pandemic: Real-Word Data from a Tertiary Urological Centre

11 - Transalbugineal artificial urinary sphincter: A refined implantation technique to improve surgical outcomes

4 - Continence outcomes post robot-assisted radical prostatectomy with the novel Hugo robotic system: A random effect pooled analysis

3 - Preliminary findings from a single center’s experience with Optilume® Drug-Coated Balloon in the Management of Recurrent Male Urethral Strictures and Bladder Neck Sclerosis

Robot-Assisted Radical Prostatectomy Performed with the Novel Hugo™ RAS System: A Systematic Review and Pooled Analysis of Surgical, Oncological, and Functional Outcomes

Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a multi-level computational approach

Quantifying partial hole-particle distance at the excited state: A revised version of the DCT index

Medium range interactions evidences in compounds with aliphatic lateral chain: 1-pentanoic acid, 1-pentanol and pentylammonium nitrate as test cases

Polar magnetic metallic state in few-layer BiFeO 3

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

Unexpected proton mobility in the bulk phase of cholinium-based ionic liquids: new insights from theoretical calculations

An X-ray and computational study of liquid pentylammonium nitrate

Low-Q peak in X-ray patterns of choline-phenylalanine and -homophenylalanine: A combined effect of chain and stacking

Chasing unphysical TD-DFT excited states in transition metal complexes with a simple diagnostic tool

Hydrogen Bonding Features in Cholinium-Based Protic Ionic Liquids from Molecular Dynamics Simulations

Classical Force Fields Tailored for QM Applications: Is It Really a Feasible Strategy?

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