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The Journal of Chemical Physics|August 17, 2010
Vibrational characterization of ethylene adsorption and its thermal evolution on Si(001)-(2 x 1): identification of majority and minority speciesKrassimir L Kostov, Rachel Nathaniel, Tzonka Mineva, et al.
Physical Chemistry Chemical Physics : PCCP|January 3, 2024
Temperature driven transformations of glycine molecules embedded in interstellar iceMaysa Yusef-Buey, Tzonka Mineva, Dahbia Talbi, et al.
Journal of Molecular Modeling|September 24, 2018
Structures, intermolecular interactions, and chemical hardness of binary water-organic solvents: a molecular dynamics studySonia M Aguilera-Segura, Francesco Di Renzo, Tzonka Mineva
Langmuir : the ACS Journal of Surfaces and Colloids|November 17, 2020
Molecular Insight into the Cosolvent Effect on Lignin-Cellulose AdhesionSonia Milena Aguilera-Segura, Francesco Di Renzo, Tzonka Mineva
Physical Chemistry Chemical Physics : PCCP|June 16, 2026
Interstellar ice embedded glycine response to H+/proton irradiation. A theoretical studyMaysa Yusef-Buey, Dahbia Talbi, Mathias Rapacioli, et al.
Biomacromolecules|May 11, 2012
Structure of alginate gels: interaction of diuronate units with divalent cations from density functional calculationsPierre Agulhon, Velina Markova, Mike Robitzer, et al.
Acta Crystallographica. Section C, Structural Chemistry|March 4, 2017
Intermolecular interactions in AST zeolites through 14N NMR and DFT calculationsEddy Dib, Mélanie Freire, Valérie Pralong, et al.
Life Sciences in Space Research|February 26, 2026
Stability of ice-embedded glycine under space ionizing radiations: a RT-TD-DFT and DFT studyDahbia Talbi, Stella Christodoulou, Maysa Yusef Buey, et al.
ACS Omega|July 20, 2018
Conversion of Methyl Mercaptan to Hydrocarbons over H-ZSM-5 Zeolite: DFT/BOMD StudyMiguel Reina, Ana Martinez, Claudia Cammarano, et al.
The Journal of Physical Chemistry. B|August 14, 2009
14N and 81Br quadrupolar nuclei as sensitive NMR Probes of n-alkyltrimethylammonium bromide crystal structures. An experimental and theoretical studyBruno Alonso, Dominique Massiot, Pierre Florian, et al.
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