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Keyword [Orbitals]
Result: 1 - 19 | Page: 1 of 1
1. A Combined MQMAS NMR And Quantum Chemical Calculation Study Of Microporous Molecular Sieves
2. Electron Momentum Spectroscopy Study Of Molecular Core Orbitals And Some Fundamental Chemical Physics Issues
3. Protein And Ligand Interaction Studies And Small Peptide Inhibitor Design Method In China
4. Quantum Chemical Calculation Of The Excited State Potential Energy Surface Of H2O～+ By Using The CASSCF Method
5. Study Of Isothermal Equation Of State Of Aluminium
6. Coherent Control Of Quantum State Transfer With Femtosecond Lasers
7. Development Of Localized Orbitals Based First-principles Package
8. Development And Application Of Localized Orbitals Based First-principles Package
9. The Theoretical Investigation Of Excited-State Intramolecular Single Proton Transfer Mechanism
10. Theoretical Study On The Mechanism Of Spinterface States Formation
11. Exploring The Vibrational Spectra And Molecular Property Of Nitrocinnamic Acid
12. Neutron-rich chromium and manganese isotopes and the role of the neutron 0g(9/2) and 1d(5/2) orbitals in the region below Nickel-68
13. Moving beyond molecular orbitals with reduced density matrices: Applications to chemiluminescent molecules and strong-field atomic processes
14. Mixed ab initio quantum mechanics/molecular mechanics methods using frozen orbitals with applications to peptides and proteins
15. Surprising microscopy subtleties: Measuring picoscale thicknesses, visualizing core orbitals, and detecting charge transfer using the TEM
16. Introduction of a fully relativistic capable basis set in the ab initio orthogonalized linear combination of atomic orbitals method
17. High Harmonic Generation From Gases Driven By Bichromatic Counterrotating Circularly Polarized Laser Fields
18. Efficient Hybrid Density Functional Calculations For Large Periodic Systems Using Numerical Atomic Orbitals
19. Existence Of Solutions Of Multiple Homoclinic Orbitals For A Class Of Second-order Quadratic Hamiltonian System Resonances
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