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Keyword [semiempirical]
Result: 1 - 18 | Page: 1 of 1
1.
Quantum Chemical Studies On The Structures And Properties Of Organic Caged Energetic Compounds Including Polynitrocubanes
2.
Molecular Design Of High Energy Density Materials (HEDM)-Cyclic Nitramines
3.
Study On The Endohedral NMR And [2+3] Reaction Mecahnisms Of Fullerenes
4.
The Experimental Study On Spatial Scattered Characteristic Of Copper
5.
Bipyridine Derivatives: Design, Synthesis And Heavy Metal Ions Extraction In Supercritical Carbon Dioxide
6.
Of Hmx Based Polymer Bonded Explosive (pbx) Formulations Designed At The Molecular Level Research
7.
2 - (4,6 - Dimethoxy-pyrimidin-2 - Thio)-n-benzamide And Its Derivatives Mass Spectrometry
8.
Parametrization And Applications Of The DFTB Method
9.
Theoretical Calculations On Electronic And Spectroscopic Properties Of Large Size Fullerenes
10.
New methods in semiempirical quantum chemistry
11.
Global optimization of passivated silicon clusters at the ab initio level via semiempirical methods
12.
Semiempirical quantum chemistry: AM1 and PM3 parameterization of new atom types and small basis set density functional thermochemistry
13.
Model Hamiltonians parametrized by Kohn-Sham density functional theory
14.
DFT and semiempirical study of metal-ligand coupling and its effects on the electronic spectra of ruthenium complexes
15.
A semiempirical study of biomolecular solvation
16.
The electronic spectroscopy of transition metal diatomic molecules modeled with semiempirical quantum chemistry
17.
Chiroptical properties of unsubstituted carbohydrates: Ab initio and semiempirical studies
18.
Investigation of geometric and electronic properties of conducting polymers using semiempirical approach
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