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Keyword [Quantum mechanics/molecular mechanics]
Result: 1 - 16 | Page: 1 of 1
1.
Structure And Dynamics Properties Of Quaternary Ammonium Salt Ionic Liquids From Theoretical And Simulation Studies
2.
Applications Of Combined Quantum Mechanics And Molecular Mechanics Methods In The Study Of Enzyme Catalysis
3.
Insights Into The Epimerization Activities Of AGE Family: The Quantum Mechanics/molecular Mechanics Simulations
4.
Studies Of The Catalytic Mechanisms Of Methyltransferase, Peptidylarginine Deiminase And Acetolactate Decarboxylase
5.
Characterizing The Structures And Spectra Of Chromophores In Condensed Phase By Means Of Multiscale Models
6.
Theoretical Studies On The Catalytic Mechanisms Of Several Non-heme Oxidases
7.
Insights Into The Catalytic Mechanism Of Acetate CoA-transferase By QM/MM Calculation
8.
Spectral Densities Of Molecular Crystal Of Tetracene Calculated By Trajectory-based Approaches And Harmonic Oscillator Model
9.
Deciphering The Chemoselectivity Of Nickel-dependent Quercetin 2,4-Dioxygenase
10.
Analysis Of Pollution Load Of Heavily Polluted River And Theoretical Study On The Mechanism Of Cysteine Dioxygenase Catalytic Reaction
11.
Theoretical Study On The Luminescence Properties Of Thermally Activated Delayed Fluorescence Molecules
12.
Computational Studies Of Solvent Effect And Structure Of Amines On CO
2
Absorption Process In Amine Solutions
13.
Roles Of Conical Intersection Of Potential Energy Surfaces In Several Important Photochemical Reactions
14.
Theoretical Studies On The Structures And Spectra Of DNA-ligands And Bases In Condensed Phase
15.
Toxicity Prediction Of Organophosphates And Molecular Simulation Of Their Interaction Mechanisms With AChE
16.
The Effect Of Molecular Interaction On The Luminescence Properties Of Thermally Activated Delayed Fluorescence Molecules
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