Year of publication
Type of media
Source
Subject
Type of material
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Synonyms were used for: molecular mechanics
Search without synonyms: keywords:("molecular mechanics")
Used synonyms:
- molekulare mechanik
- molekularmechanik
-
Degradation mechanism for Zearalenone ring-cleavage by Zearalenone hydrolase RmZHD: A QM/MM study
Elsevier | 2019|Keywords: Quantum mechanics/molecular mechanics -
A combined molecular dynamics and experimental study of doped polypyrrole
Elsevier | 2010|Keywords: Molecular mechanics -
Molecular simulations of cement based materials: A comparison between first principles and classical force field calculations
Elsevier | 2017|Keywords: Molecular mechanics -
The MolSSI Driver Interface Project: A framework for standardized, on-the-fly interoperability between computational molecular sciences codes
Elsevier | 2020|Keywords: Molecular mechanics -
Nonlocal mass nanosensors based on vibrating monolayer graphene sheets
Elsevier | 2013|Keywords: Molecular mechanics -
Investigation of elastic and buckling properties of carbon nanocones using molecular mechanics approach
Elsevier | 2012|Keywords: Molecular mechanics -
Conformational analysis of an extracellular polysaccharide produced by Sphaerotilus natans
Elsevier | 2012|Keywords: Molecular mechanics calculation -
Holes interaction of a graphene membrane under pressure for water desalination
Elsevier | 2023|Keywords: Molecular mechanics -
Thermomechanical buckling of single walled carbon nanotubes by a structural mechanics method
Elsevier | 2017|Keywords: Molecular mechanics -
Elastic in-plane properties of 2D linearized models of graphene
Elsevier | 2013|Keywords: Molecular mechanics -
Computational biotransformation of polyethylene terephthalate by depolymerase: A QM/MM approach
Elsevier | 2021|Keywords: Quantum Mechanics/Molecular Mechanics -
Dynamic aspects of graphene deformation and fracture from approximate density functional theory
Elsevier | 2022|Keywords: Molecular mechanics -
Effect of spacer lengths on the interplay of intrachain and interchain in polynorbornene homopolymers embedded with polyhedral oligomeric silsesquioxane (POSS): A molecular simulation approach
Elsevier | 2020|Keywords: Molecular mechanics -
Computation of chirality- and size-dependent surface Young's moduli for single-walled carbon nanotubes
Elsevier | 2007|Keywords: Molecular mechanics -
Phenomenological multiscale finite element for single layer graphene
Elsevier | 2016|Keywords: Molecular mechanics -
Performance of some DFT functionals with dispersion on modeling of the translational isomers of a solvent-switchable [2]rotaxane
Elsevier | 2015|Keywords: Molecular mechanics -
Predicting mechanical properties of carbon nanosprings based on molecular mechanics simulation
Elsevier | 2014|Keywords: Molecular mechanics -
Size dependence and orientation dependence of elastic properties of ZnO nanofilms
Elsevier | 2007|Keywords: Molecular mechanics
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