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TIB reading rooms collection
Synonyms were used for: Quantum Mechanics
Search without synonyms: keywords:("Quantum Mechanics")
Used synonyms:
- quantenmechanik
-
Unlocking the Hydrolytic Mechanism of GH92 α‐1,2‐Mannosidases: Computation Inspires the use of C‐Glycosides as Michaelis Complex Mimics
Wiley | 2022|Keywords: quantum mechanics -
Semiclassical transition state theory for chemical reactions
Free accessBASE | 2016|Keywords: quantum mechanics -
Deciphering the Mechanism of Human Carbonic Anhydrases Inhibition with Sulfocoumarins: Computational and Experimental Studies
Wiley | 2018|Keywords: quantum mechanics -
A general intermolecular force field based on tight-binding quantum chemical calculations
American Institute of Physics | 2017|Keywords: SPECIAL TOPIC: FROM QUANTUM MECHANICS TO FORCE FIELDS -
Understanding the role of active site residues in CotB2 catalysis using a cluster model
Free accessBASE | 2020|Keywords: Quantum mechanics -
Mechanism of proteolysis in matrix metalloproteinase‐2 revealed by QM/MM modeling
Wiley | 2015|Keywords: quantum mechanics/molecular mechanics -
Toward chemical accuracy in the description of ion–water interactions through many-body representations. Alkali-water dimer potential energy surfaces
American Institute of Physics | 2017|Keywords: SPECIAL TOPIC: FROM QUANTUM MECHANICS TO FORCE FIELDS -
Study of interactions between metal ions and protein model compounds by energy decomposition analyses and the AMOEBA force field
American Institute of Physics | 2017|Keywords: SPECIAL TOPIC: FROM QUANTUM MECHANICS TO FORCE FIELDS -
The Catalytic Mechanism of the Marine‐Derived Macrocyclase PatGmac
Wiley | 2016|Keywords: quantum mechanics -
Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions
American Institute of Physics | 2017|Keywords: SPECIAL TOPIC: FROM QUANTUM MECHANICS TO FORCE FIELDS -
On the development of polarizable and Lennard-Jones force fields to study hydration structure and dynamics of actinide(III) ions based on effective ionic radii
American Institute of Physics | 2017|Keywords: SPECIAL TOPIC: FROM QUANTUM MECHANICS TO FORCE FIELDS -
Introductory organic chemistry and hydrocarbons : a physical chemistry approach
TIBKAT | 2020|Keywords: Quantenmechanik -
Multiscale Modeling of the Active Site of [Fe] Hydrogenase: The H2 Binding Site in Open and Closed Protein Conformations
Wiley | 2015|Keywords: Quantenmechanik -
A green complex film based on the extract of Persian Echium amoenum and zinc nitrate for mild steel protection in saline solution; Electrochemical and surface explorations besides dynamic simulation
Elsevier | 2019|Keywords: MD/MC/Quantum mechanics
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