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Rigorous and Empirical Approaches to Correlated Single Particle Theories
Circular Dichroism Spectroscopy with the SAC-CI Methodology: A ChiraSac Study
Frontiers of Coupled Cluster Chiroptical Response Theory
Response Theory and Molecular Properties
Response Properties of Periodic Materials Subjected to External Electric and Magnetic Fields
Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties: from Small to Extended p-conjugated Molecules
Embedding Methods in Quantum Chemistry
Calculation of Vibrational Spectra of Large Molecules from their Fragments
Describing Molecules in Motion by Quantum Many-Body Methods
Relativistic Time-Dependent Density-Functional Theory for Molecular Properties
Warming Up Density Functional Theory
Toward a Quantum Chemical Description of Molecular Properties and Chemical Reactions at Extreme Condition of Pressure
Transition States of Spin-Crossing Reactions from Organometallics to Biomolecular Excited States
Electron Communications and Chemical Bonds
Molecular Dynamics Simulations of Vibrational Spectra of Hydrogen-Bonded Systems
Nuclear Quantum Effect and H/D Isotope Effect on Hydrogen-Bonded Systems with Path Integral Simulation
Vibrational Linear and Nonlinear Optical Properties: Theory, Methods and Application
Ab Initio Molecular Dynamics Study on Photoisomerization Reactions: Applications to Azobenzene and Stilbene
Density Functional Theoretical Studies on Chemical Enhancement of Surface-Enhanced Raman Spectroscopy in Electrochemical Interfaces
Quantum Chemistry Studies of Overtones and Combinations.
Circular Dichroism Spectroscopy with the SAC-CI Methodology: A ChiraSac Study
Frontiers of Coupled Cluster Chiroptical Response Theory
Response Theory and Molecular Properties
Response Properties of Periodic Materials Subjected to External Electric and Magnetic Fields
Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties: from Small to Extended p-conjugated Molecules
Embedding Methods in Quantum Chemistry
Calculation of Vibrational Spectra of Large Molecules from their Fragments
Describing Molecules in Motion by Quantum Many-Body Methods
Relativistic Time-Dependent Density-Functional Theory for Molecular Properties
Warming Up Density Functional Theory
Toward a Quantum Chemical Description of Molecular Properties and Chemical Reactions at Extreme Condition of Pressure
Transition States of Spin-Crossing Reactions from Organometallics to Biomolecular Excited States
Electron Communications and Chemical Bonds
Molecular Dynamics Simulations of Vibrational Spectra of Hydrogen-Bonded Systems
Nuclear Quantum Effect and H/D Isotope Effect on Hydrogen-Bonded Systems with Path Integral Simulation
Vibrational Linear and Nonlinear Optical Properties: Theory, Methods and Application
Ab Initio Molecular Dynamics Study on Photoisomerization Reactions: Applications to Azobenzene and Stilbene
Density Functional Theoretical Studies on Chemical Enhancement of Surface-Enhanced Raman Spectroscopy in Electrochemical Interfaces
Quantum Chemistry Studies of Overtones and Combinations.