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1 . Academic Journal
A computational chemistry study on the evolution of oxygen functional groups during char burnout
저자
by
Yönder, Özlem
;
Schmitz, Gunnar
;
Schmid, Rochus
;
Schnieder, Bastian
;
Hättig, Christof
.
소스
In
Fuel
1 June 2024 365
Full Text (ScienceDirect)
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7 . Academic Journal
MD studies of methanol confined in the metal-organic framework MOF MIL-88B-Cl
저자
by
Siwaipram, Siwarut
;
Bopp, Philippe A.
;
Ponchai, Panyapat
;
Soetens, Jean-Christophe
;
Hasegawa, Jun-ya
, et al.
소스
In
Journal of Molecular Liquids
1 August 2022 359
Full Text (ScienceDirect)
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7 . Academic Journal
Development of a MOF-FF-compatible interaction model for liquid methanol and Cl− in methanol
저자
by
Siwaipram, Siwarut
;
Bopp, Philippe A.
;
Soetens, Jean-Christophe
;
Schmid, Rochus
;
Bureekaew, Sareeya
.
소스
In
Journal of Molecular Liquids
1 July 2019 285:526-534
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7 . Academic Journal
Solution of high order compact discretized 3D elliptic partial differential equations by an accelerated multigrid method
저자
by
Medina, Arcesio Castañeda
;
Schmid, Rochus
.
소스
In
Journal of Computational and Applied Mathematics
April 2019 350:343-352
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4 . Report
Computing chemical potentials of adsorbed or confined fluids
저자
by
Schmid, Rochus
;
Cheng, Bingqing
.
소스
Open Access (Arxiv)
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4 . Academic Journal
Rotational and translational dynamics of CO2 adsorbed in MOF Zn2(bdc)2(dabco)
저자
by
Peksa, Mikuláš
;
Burrekaew, Sareeya
;
Schmid, Rochus
;
Lang, Jan
;
Stallmach, Frank
.
소스
In
Microporous and Mesoporous Materials
1 November 2015 216:75-81
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7 . Academic Journal
Simulating the structural phase transitions of metal-organic frameworks with control over the volume of nanocrystallites.
저자
by
Schaper, Larissa
;
Schmid, Rochus
.
소스
Communications Chemistry
. 10/28/2023, Vol. 6 Issue 1, p1-11. 11p.
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4 . Academic Journal
Understanding MOF Flexibility: An Analysis Focused on Pillared Layer MOFs as a Model System.
저자
by
Senkovska, Irena
;
Bon, Volodymyr
;
Abylgazina, Leila
;
Mendt, Matthias
;
Berger, Jan
, et al.
소스
Angewandte Chemie
. 8/14/2023, Vol. 135 Issue 33, p1-47. 47p.
Full Text (Wiley)
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7 . Academic Journal
Atomistic theoretical models for nanoporous hybrid materials
저자
by
Tafipolsky, Maxim
;
Amirjalayer, Saeed
;
Schmid, Rochus
.
소스
In
Microporous and Mesoporous Materials
2010 129(3):304-318
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5 . Report
Identifying the Bottleneck for Heat Transport in Metal-Organic Frameworks
저자
by
Wieser, Sandro
;
Kamencek, Tomas
;
Dürholt, Johannes P.
;
Schmid, Rochus
;
NataliaBedoya-Martínez
, et al.
소스
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