16 results on '"Kobayashi, Rika"'
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2. Virtual teaching laboratories – hands-on at a distance
3. Virtual Computational Chemistry Teaching Laboratories—Hands-On at a Distance
4. Convergence of Defect Energetics Calculations
5. Solvent-Specific Featurization for Predicting Free Energies of Solvation through Machine Learning
6. Feature Engineering for Materials Chemistry—Does Size Matter?
7. Application of the Systematic Molecular Fragmentation by Annihilation Method to ab Initio NMR Chemical Shift Calculations
8. Understanding and Calibrating Density-Functional-Theory Calculations Describing the Energy and Spectroscopy of Defect Sites in Hexagonal Boron Nitride
9. Microsolvation within the Systematic Molecular Fragmentation by Annihilation Approach
10. Ab Initio NMR Chemical Shift Calculations Using Fragment Molecular Orbitals and Locally Dense Basis Sets
11. Systematic Study of Locally Dense Basis Sets for NMR Shielding Constants
12. Correlated Ab Initio Quantum Chemical Study of the Interaction of the Na+, Mg2+, Ca2+, and Zn2+ Ions with the Tautomers of Cytosine
13. Studies of the Ground and Excited-State Surfaces of the Retinal Chromophore using CAM-B3LYP
14. Assignment of the Qy Absorption Spectrum of Photosystem-I from Thermosynechococcus elongatus Based on CAM-B3LYP Calculations at the PW91-Optimized Protein Structure
15. Density Functional Theory for Charge Transfer: The Nature of the N-Bands of Porphyrins and Chlorophylls Revealed through CAM-B3LYP, CASPT2, and SAC-CI Calculations
16. A CCSD(T) Study of the Relative Stabilities of Cytosine Tautomers
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