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TIB reading rooms collection
Synonyms were used for: Quantum Mechanics
Search without synonyms: keywords:("Quantum Mechanics")
Used synonyms:
- quantenmechanik
-
Quantum Crystallography: Current Developments and Future Perspectives
Wiley | 2018|Keywords: quantum mechanics -
Quantum‐mechanical condensed matter simulations with CRYSTAL
Wiley | 2018|Keywords: quantum mechanics -
The adaptive buffered force QM/MM method in the CP2K and AMBER software packages
Wiley | 2015|Keywords: adaptive quantum‐mechanics/molecular‐mechanics, quantum‐mechanics/molecular‐mechanics -
Calculation of wave‐functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. Part I. Application of the Huzinaga equation
Wiley | 2013|Keywords: mixed quantum mechanics/molecular mechanics, mixed quantum mechanics/quantum mechanics -
Convergence in the QM‐only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydratase
Wiley | 2013|Keywords: quantum mechanics/molecular mechanics, quantum mechanics‐only -
Calculation of wave‐functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. II. Application of the local basis equation
Wiley | 2013|Keywords: mixed quantum mechanics/molecular mechanics, quantum mechanics/quantum mechanics -
Investigation of ions hydration using molecular modeling
Elsevier | 2019|Keywords: Quantum mechanics -
Frontispiece: Quantum Crystallography: Current Developments and Future Perspectives
Wiley | 2018|Keywords: quantum mechanics -
Degradation mechanism for Zearalenone ring-cleavage by Zearalenone hydrolase RmZHD: A QM/MM study
Elsevier | 2019|Keywords: Quantum mechanics/molecular mechanics -
High-resolution crystal structure of a 20 kDa superfluorinated gold nanocluster
Free accessBASE | 2022|Keywords: QUANTUM MECHANICS -
Using theoretical and biophysical techniques to study the applicability of halogen bonding in molecular design
TIBKAT | 2015|Keywords: Quantenmechanik -
Development and validation of the REMP and OO-REMP hybrid perturbation theories
Free accessTIBKAT | 2023|Keywords: Quantenmechanik -
FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small molecules
Wiley | 2020|Keywords: quantum mechanics -
Effects of metal-ion replacement on pyrazinamidase activity: A quantum mechanical study
Elsevier | 2017|Keywords: Quantum mechanics
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