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Keyword [ab initio calculation]
Result: 41 - 55 | Page: 3 of 3
41.
Theoretical Studies On The [M(CH
3
OH)
n
](M=Li
+
,Na
+
,K
+
,Be
2+
,Mg
2+
,Ca
2+
,n=1?6) Systems
42.
Preparation And Thermoelectric Properties Of Donor-doped Lead Sulfide
43.
Construction And Magnetic Relaxation Dynamics Study Of Dysprosium Single-molecule Magnets Based On Acylhydrazone Schiff Base
44.
Construction,structure And Magnetic Relaxation Dynamics Study Of Dysprosium Single-molecule Magnets With D
4d
/D
5h
Configuration
45.
Syntheses And Magnetodynamics Of Dysprosium Single-Ion Magnets With Octahedral/Pentagonal Bipyramid Coordination Geometries
46.
Theoretical Study Of The Reinforcement Effects Of Ternary Laves Phase Mg
2
Cu
3
Si And Its Native Point Defects In Mg-Cu-Si Alloys
47.
Ab Initio Quantum Transport Simulations Of 2D WSe
2
And Phosphorene
48.
Ab Initio Calculation of SiO2 and ZnO Defect Structures
49.
Ab-initio calculation of elastic constants of oxide and nitride crystals
50.
Ab initio calculation of rovibrational energy levels and dynamics of van der Waals complexes
51.
Raman optical activity: Theory, instrumentation and measurements. Electron transition current density: Ab initio calculation of vibrational transition current density in selected molecules
52.
Ab initio study of cluster molecules relevant to materials science and astrophysics: Development of combined bond-polarization basis sets for the accurate ab initio calculation of dissociation energies
53.
Theoretical Studies On The Potential Energy Surfaces And Ro-vibrational Spectra For Van Der Waals Complexes Consisting Of HF Molecule
54.
Study On The Characteristics Of Coplanar Double Cage Structure Formation Mechanism And Phase Equilibrium Of S-? CO
2
Hydrate
55.
Development And Application Of EAM Empirical Potential For Pt-Rh Alloys
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