21 results on '"Kirtman, Bernard"'
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2. Response Properties of Periodic Materials Subjected to External Electric and Magnetic Fields
3. Describing Molecules in Motion by Quantum Many-Body Methods
4. Calculation of Vibrational Spectra of Large Molecules from Their Fragments
5. Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties: From Small to Extended π-Conjugated Molecules
6. Circular Dichroism Spectroscopy with the SAC-CI Methodology: A ChiraSac Study
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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