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Hegoi Manzano
Hegoi Manzano
Department of Physics, UPV/EHU, (ORCID 0000-0001-7992-2718)
Verified email at ehu.eus - Homepage
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Cited by
Year
A model for the CASH gel formed in alkali-activated slag cements
F Puertas, M Palacios, H Manzano, JS Dolado, A Rico, J Rodríguez
Journal of the European Ceramic Society 31 (12), 2043-2056, 2011
5502011
Confined water dissociation in microporous defective silicates: mechanism, dipole distribution, and impact on substrate properties
H Manzano, S Moeini, F Marinelli, ACT Van Duin, FJ Ulm, RJM Pellenq
Journal of the American Chemical Society 134 (4), 2208-2215, 2012
2562012
Elastic properties of the main species present in Portland cement pastes
H Manzano, JS Dolado, A Ayuela
Acta materialia 57 (5), 1666-1674, 2009
2312009
Hydration of calcium oxide surface predicted by reactive force field molecular dynamics
H Manzano, RJM Pellenq, FJ Ulm, MJ Buehler, ACT Van Duin
Langmuir 28 (9), 4187-4197, 2012
1732012
Mechanical properties of crystalline calcium‐silicate‐hydrates: comparison with cementitious C‐S‐H gels
H Manzano, JS Dolado, A Guerrero, A Ayuela
physica status solidi (a) 204 (6), 1775-1780, 2007
1352007
cemff: A force field database for cementitious materials including validations, applications and opportunities
RK Mishra, AK Mohamed, D Geissbühler, H Manzano, T Jamil, ...
Cement and Concrete Research, 2017
1212017
Hysteresis from multiscale porosity: modeling water sorption and shrinkage in cement paste
MB Pinson, E Masoero, PA Bonnaud, H Manzano, Q Ji, S Yip, JJ Thomas, ...
Physical Review Applied 3 (6), 064009, 2015
1192015
Shear deformations in calcium silicate hydrates
H Manzano, E Masoero, I Lopez-Arbeloa, HM Jennings
Soft Matter 9 (30), 7333-7341, 2013
1142013
Understanding and controlling the reactivity of the calcium silicate phases from first principles
E Durgun, H Manzano, RJM Pellenq, JC Grossman
Chemistry of Materials 24 (7), 1262-1267, 2012
1082012
Impact of chemical impurities on the crystalline cement clinker phases determined by atomistic simulations
H Manzano, E Durgun, MJ Abdolhosseine Qomi, FJ Ulm, RJM Pellenq, ...
Crystal Growth & Design 11 (7), 2964-2972, 2011
942011
Rational design of advanced photosensitizers based on orthogonal BODIPY dimers to finely modulate singlet oxygen generation
N Epelde‐Elezcano, E Palao, H Manzano, A Prieto‐Castañeda, ...
Chemistry–A European Journal 23 (20), 4837-4848, 2017
792017
Structural, mechanical, and reactivity properties of tricalcium aluminate using first‐principles calculations
H Manzano, JS Dolado, A Ayuela
Journal of the American Ceramic Society 92 (4), 897-902, 2009
782009
A molecular dynamics study of the aluminosilicate chains structure in Al‐rich calcium silicate hydrated (C–S–H) gels
H Manzano, JS Dolado, M Griebel, J Hamaekers
physica status solidi (a) 205 (6), 1324-1329, 2008
742008
Aluminum incorporation to dreierketten silicate chains
H Manzano, JS Dolado, A Ayuela
The Journal of Physical Chemistry B 113 (9), 2832-2839, 2009
702009
Interfacial connection mechanisms in calcium–silicate–hydrates/polymer nanocomposites: a molecular dynamics study
Y Zhou, D Hou, H Manzano, CA Orozco, G Geng, PJM Monteiro, J Liu
ACS applied materials & interfaces 9 (46), 41014-41025, 2017
672017
Insight on tricalcium silicate hydration and dissolution mechanism from molecular simulations
H Manzano, E Durgun, I López-Arbeloa, JC Grossman
ACS applied materials & interfaces 7 (27), 14726-14733, 2015
612015
Hydration mechanism of reactive and passive dicalcium silicate polymorphs from molecular simulations
Q Wang, H Manzano, Y Guo, I Lopez-Arbeloa, X Shen
The Journal of Physical Chemistry C 119 (34), 19869-19875, 2015
602015
On the formation of cementitious C–S–H nanoparticles
H Manzano, A Ayuela, JS Dolado
Journal of computer-aided materials design 14 (1), 45-51, 2007
602007
Atomistic simulations of geopolymer models: the impact of disorder on structure and mechanics
F Lolli, H Manzano, JL Provis, MC Bignozzi, E Masoero
ACS applied materials & interfaces 10 (26), 22809-22820, 2018
592018
The characterization, stability, and reactivity of synthetic calcium silicate surfaces from first principles
E Durgun, H Manzano, PV Kumar, JC Grossman
The Journal of Physical Chemistry C 118 (28), 15214-15219, 2014
542014
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