Challenges in first-principles NPT molecular dynamics of soft porous crystals: a case study on MIL-53(Ga).
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Thermodynamic Insight in the High-Pressure Behavior of UiO-66: Effect of Linker Defects and Linker Expansion.Adsorption deformation of microporous composites.Thermodynamics of the Flexible Metal-Organic Framework Material MIL-53(Cr) From First Principles.Recent advances in the computational chemistry of soft porous crystals.
P2860
Challenges in first-principles NPT molecular dynamics of soft porous crystals: a case study on MIL-53(Ga).
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name
Challenges in first-principles ...... ystals: a case study on MIL-53
@nl
Challenges in first-principles ...... s: a case study on MIL-53(Ga).
@en
type
label
Challenges in first-principles ...... ystals: a case study on MIL-53
@nl
Challenges in first-principles ...... s: a case study on MIL-53(Ga).
@en
prefLabel
Challenges in first-principles ...... ystals: a case study on MIL-53
@nl
Challenges in first-principles ...... s: a case study on MIL-53(Ga).
@en
P2860
P50
P356
P1476
Challenges in first-principles ...... ls: a case study on MIL-53(Ga)
@en
P2093
Volker Haigis
Yacine Belkhodja
P2860
P304
P356
10.1063/1.4891578
P407
P577
2014-08-01T00:00:00Z