ab initio molecular dynamics - Globe Thesis

Keyword [ab initio molecular dynamics] Result: 1 - 17 \| Page: 1 of 1
1.	Neutron Scattering Of Hydrogen Bonds In Ice And The Amino Acid Hydration And First Principles
2.	Structural And Dynamical Properties Of H₂S Under High Pressure: Ab Initio Molecular Dynamics Studies
3.	Classical And Ab Initio Molecular Dynamics Study Of The Catalytic Core Of Kinesin
4.	Study On Vibrational Properties And Melting Behavior Of Small Silicon Clusters
5.	Liquid And Amorphous Al <sub> 94-x </ Sub> Ni <sub> 6 </ Sub> La <sub> X </ Sub> Alloy Structure Ab Initio Molecular Dynamics Simulations
6.	Study On The Micro-structure And Dynamical Properties Of Elemental Zirconium And Silicon Alloys Liquids And Glasses
7.	Predictive Design Of Functional Molecules And Nanomaterials Using Ab Initio Molecular Dynamics And Electronic Structure Theories
8.	Ab Initio Molecular Dynamics Study On Ammonium Azideand Ammonium Nitrate Under High Pressure
9.	Ab-initio Molecular Dynamics Study Of Structure And Dynamic Properties Of Liquid Metal
10.	The Melting Properties For Mo Under High Pressure
11.	Ab Initio Molecular Dynamics Studies On Ionization And Fragmentation Dynamics For Several Molecules
12.	Research On High-Pressure Physics Of H-O Compounds Inside Ice Giant Planets
13.	The Study Of Radiation Effect Of Semiconductor Electronic Materials
14.	Study On Polymerization Of Carbon Monoxide And Carbon Monoxide With Impurities At Different Thermo Conditions
15.	Quantum wavepacket ab initio molecular dynamics: Simulating quantum nuclear effects in complex systems
16.	States And Migration Of Excess Electrons In Novel Liquid Media Revealed By Ab Initio Molecular Dynamics Simulation
17.	First-Principles Study Of Monolayer Ice Structure
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