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Ab Initio Molecular Dynamics Study of a Mixture of HF(aq) and HCl(aq)
by
Laasonen, Kari
,
Larrucea, Julen
,
Sillapää, Atte
Published in
The journal of physical chemistry. B
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Solvent effect on cation–π interactions with Al3
by
Larrucea, Julen
Published in
Journal of molecular modeling
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Car–Parrinello molecular dynamics study of the coordination on Al3+ (aq)
by
Larrucea, Julen
Published in
Physica scripta
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Car–Parrinello molecular dynamics study of the coordination on Al 3+ (aq)
by
Larrucea, Julen
Published in
Physica scripta
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Parametrization of a classical force field for iron oxyhydroxide/water interfaces based on Density Functional Theory calculations
by
Larrucea, Julen
,
Lid, Steffen
,
Colombi Ciacchi, Lucio
Published in
Computational materials science
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Density functional study of Cu2+-phenylalanine complex under micro-solvation environment
by
Ganesan, Aravindhan
,
Dreyer, Jens
,
Wang, Feng
,
Akola, Jaakko
,
Larrucea, Julen
Published in
Journal of molecular graphics & modelling
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Density functional study of Cu(2+)-phenylalanine complex under micro-solvation environment
by
Ganesan, Aravindhan
,
Dreyer, Jens
,
Wang, Feng
,
Akola, Jaakko
,
Larrucea, Julen
Published in
Journal of molecular graphics & modelling
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Ordering the amorphous – Structures in PBD LED materials
by
Emmerling, Franziska
,
Orgzall, Ingo
,
Dietzel, Birgit
,
Schulz, Burkhard
,
Larrucea, Julen
Published in
Journal of molecular structure
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CPMD simulation of Cu2+ -- phenylalanine complex under micro-solvated environment
by
Ganesan, Aravindhan
,
Dreyer, Jens
,
Wang, Feng
,
Akola, Jaakko
,
Larrucea, Julen
Published in
arXiv.org
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