Rochus Schmid researcher
Schmid, Rochus 1968-
VIAF ID: 170787525 (Personal)
Permalink: http://viaf.org/viaf/170787525
Preferred Forms
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100 0 _
‡a
Rochus Schmid
‡c
researcher
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100 1 _
‡a
Schmid, Rochus
‡d
1968-
4xx's: Alternate Name Forms (3)
5xx's: Related Names (1)
Works
| Title | Sources |
|---|---|
| Ab Initio Derived Force Fields for Zeolitic Imidazolate Frameworks: MOF-FF for ZIFs |
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| Ab initio molecular dynamics with a continuum solvation model |
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| An accurate force field model for the strain energy analysis of the covalent organic framework COF-102 |
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| Almost enclosed buckyball joints: synthesis, complex formation, and computational simulations of pentypticene-extended tribenzotriquinacene |
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| Can Small Polyaromatics Describe Their Larger Counterparts for Local Reactions? A Computational Study on the H-Abstraction Reaction by an H-Atom from Polyaromatics |
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| Car-Parrinello simulations with a real space method. |
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| A Consistent Force Field for the Carboxylate Group |
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| A cryogenically flexible covalent organic framework for efficient hydrogen isotope separation by quantum sieving |
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| An Electric Field Induced Breath for Metal-Organic Frameworks |
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| Electrode potential dependent desolvation and resolvation of germanium(100) in contact with aqueous perchlorate electrolytes |
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| Evaluating Computational Shortcuts in Supercell-Based Phonon Calculations of Molecular Crystals: The Instructive Case of Naphthalene |
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| Experimental evidence for the incorporation of two metals at equivalent lattice positions in mixed-metal metal-organic frameworks |
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| Flexibility and sorption selectivity in rigid metal-organic frameworks: the impact of ether-functionalised linkers. |
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| The [Ga2(C5Me5)]+ ion: bipyramidal double-cone structure and weakly coordinated, monovalent Ga+ |
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| Gas phase chemistry in gallium nitride CVD: Theoretical determination of the Arrhenius parameters for the first Ga-C bond homolysis of trimethylgallium |
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| A general and efficient pseudopotential Fourier filtering scheme for real space methods using mask functions |
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| Influence of flexible side-chains on the breathing phase transition of pillared layer MOFs: a force field investigation |
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| Mechanistic insights into an unprecedented C-C bond activation on a Rh/Ga bimetallic complex: a combined experimental/computational approach. |
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| Metal@MOF: loading of highly porous coordination polymers host lattices by metal organic chemical vapor deposition |
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| Molecular dynamics simulation of benzene diffusion in MOF-5: importance of lattice dynamics |
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| Molecular dynamics simulations of the “breathing” phase transformation of MOF nanocrystallites |
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| Pentlandite rocks as sustainable and stable efficient electrocatalysts for hydrogen generation |
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| The reaction of RhCp*(CH3)2(L)(L = pyridine, dmso) with GaCp* and AlCp*: a new type of carbon-carbon bond activation reaction. |
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| Structural complexity in metal-organic frameworks: simultaneous modification of open metal sites and hierarchical porosity by systematic doping with defective linkers |
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| Substituent-free gallium by hydrogenolysis of coordinated GaCp*: synthesis and structure of highly fluxional [Ru2(Ga)(GaCp*)7(H)3]. |
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| Surface Termination of the Metal-Organic Framework HKUST-1: A Theoretical Investigation. |
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| Systematic first principles parameterization of force fields for metal-organic frameworks using a genetic algorithm approach |
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| Theoretische Untersuchungen an katalyserelevanten Übergangsmetall-Komplexen |
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| TopoFF: MOF structure prediction using specifically optimized blueprints |
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| Tribenzotriquinacene receptors for C60 fullerene rotors: towards C3 symmetrical chiral stators for unidirectionally operating nanoratchets |
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| Tuning the Electric Field Response of MOFs by Rotatable Dipolar Linkers |
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| Verlet-like algorithms for Car-Parrinello molecular dynamics with unequal electronic occupations |
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