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Physical Chemistry Chemical Physics : PCCP|May 14, 2026
Structure-spectra relationships of carbonate defects in hydroxyapatite revealed by first-principles infrared spectroscopyZhao Yuheng, Jessica Bowles, Ionut Tranca, et al.
The Journal of Physical Chemistry. A|November 21, 2007
A theoretical study on the electronic structure of Au-XO(0,-1,+1) (X=C, N, and O) complexes: effect of an external electric fieldFrederik Tielens, Lourdes Gracia, Victor Polo, et al.
Physical Chemistry Chemical Physics : PCCP|November 26, 2016
Hydration in silica based mesoporous materials: a DFT modelMaciej Gierada, Ivan Petit, Jarosław Handzlik, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|October 6, 2011
Effect of coverage and defects on the adsorption of propanethiol on Au(111) surface: a theoretical studyNoelia B Luque, Elizabeth Santos, Juan Andres, et al.
Physical Chemistry Chemical Physics : PCCP|November 9, 2021
Towards a predictive model for polymer solubility using the noncovalent interaction index: polyethylene as a case studyMats Denayer, Jelle Vekeman, Frederik Tielens, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 1, 2016
Does the S-H Bond Always Break after Adsorption of an Alkylthiol on Au(111)?Hazar Guesmi, Noelia B Luque, Elizabeth Santos, et al.
Physical Chemistry Chemical Physics : PCCP|August 8, 2015
Supported and inserted monomeric niobium oxide species on/in silica: a molecular pictureDiana C Tranca, Anna Wojtaszek-Gurdak, Maria Ziolek, et al.
Nano Letters|April 28, 2026
Unveiling the Early Species of Silica-Based Materials: Raman Characterization of Silica OligomersFileto Rodríguez, Ionut Tranca, Pablo Beato, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|April 30, 2025
Water dissociation in CNT-supported IrO2nanoparticlesJosé Luis Nuñez, Gustavo Daniel Belletti, Frederik Tielens, et al.
IJU Case Reports|July 14, 2021
Lanthanum carbonate to control plasma and urinary oxalate level in type 1 primary hyperoxaluria?Agnieszka Pozdzik, Cristina David, Jelle Vekeman, et al.
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