21 results on '"Nakatsuji, Hiroshi"'
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2. Circular Dichroism Spectroscopy with the SAC-CI Methodology: A ChiraSac Study
3. Describing Molecules in Motion by Quantum Many-Body Methods
4. Calculation of Vibrational Spectra of Large Molecules from Their Fragments
5. Response Properties of Periodic Materials Subjected to External Electric and Magnetic Fields
6. Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties: From Small to Extended π-Conjugated Molecules
7. Embedding Methods in Quantum Chemistry
8. Response Theory and Molecular Properties
9. Frontiers of Coupled Cluster Chiroptical Response Theory
10. Rigorous and Empirical Approaches to Correlated Single-Particle Theories
11. Ab Initio Molecular Dynamics Study on Photoisomerization Reactions: Applications to Azobenzene and Stilbene
12. Advances in Anharmonic Methods and Their Applications to Vibrational Spectroscopies
13. Nuclear Quantum Effect and H/D Isotope Effect on Hydrogen-Bonded Systems with Path Integral Simulation
14. Molecular Dynamics Simulations of Vibrational Spectra of Hydrogen-Bonded Systems
15. Density Functional Theoretical Studies on Chemical Enhancement of Surface-Enhanced Raman Spectroscopy in Electrochemical Interfaces
16. Vibrational Linear and Nonlinear Optical Properties: Theory, Methods, and Application
17. Relativistic Time-Dependent Density Functional Theory for Molecular Properties
18. Electron Communications and Chemical Bonds
19. Transition States of Spin-State Crossing Reactions from Organometallics to Biomolecular Excited States
20. Warming Up Density Functional Theory
21. Quantum Chemistry at the High Pressures: The eXtreme Pressure Polarizable Continuum Model (XP-PCM)
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