All-atom molecular dynamics simulation of the 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mo>[</mml:mo><mml:mi>Fe</mml:mi><mml:mo>(</mml:mo><mml:mtext>pyrazine</mml:mtext><mml:mo>)</mml:mo><mml:mo>]</mml:mo><mml:mo> </mml:mo><mml:mo>[</mml:mo><mml:mrow><mml:mi>Ni</mml:mi><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>CN</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mn>4</mml:mn></mml:msub></mml:mrow><mml:mo>]</mml:mo></mml:math>
 spin-crossover complex. I. Thermally induced spin transition in

Mi, Shiteng; Molnár, Gábor; Ridier, Karl; Nicolazzi, William; Bousseksou, Azzedine

doi:10.1103/physrevb.109.054103

Phys. Rev. B

2024

DOI: 10.1103/physrevb.109.054103

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All-atom molecular dynamics simulation of the [Fe(pyrazine)] [Ni(CN)4] spin-crossover complex. I. Thermally induced spin transition in

Shiteng Mi,

Gábor Molnár,

Karl Ridier

et al.

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Cited by 2 publications

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Quantification of the thermodynamic effects of the low-spin – high-spin interaction in molecular crystals of a mononuclear iron(ii) spin crossover complex.

Wolny,

Gröpl,

Kiehl

et al. 2024

Dalton Trans.

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Quantification of the thermodynamic effects of the low-spin – high-spin interaction in molecular crystals of a mononuclear iron(ii) spin crossover complex.

Wolny,

Gröpl,

Kiehl

et al. 2024

Dalton Trans.

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All-atom molecular dynamics simulation of the [Fe(pyrazine)][Ni(CN)4] spin-crossover complex. II. Spatiotemporal study of a bimorph actuator

Mi,

Molnár,

Ridier

et al. 2024

Phys. Rev. B

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All-atom molecular dynamics simulation of the [Fe(pyrazine)] [Ni(CN)4] spin-crossover complex. I. Thermally induced spin transition in

Cited by 2 publications

References 71 publications

Quantification of the thermodynamic effects of the low-spin – high-spin interaction in molecular crystals of a mononuclear iron(ii) spin crossover complex.

Quantification of the thermodynamic effects of the low-spin – high-spin interaction in molecular crystals of a mononuclear iron(ii) spin crossover complex.

All-atom molecular dynamics simulation of the [Fe(pyrazine)][Ni(CN)4] spin-crossover complex. II. Spatiotemporal study of a bimorph actuator

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