Includes bibliographical references and index.

Online resource; title from PDF title page (EBSCO, viewed April 30, 2019).

Interpretability Meets Accuracy in Computational Spectroscopy: The Virtual Multifrequency Spectrometer / Vincenzo Barone, Cristina Puzzarini -- Excited State Dynamics in NTChem / Takehiro Yonehara, Noriyuki Minezawa, Takahito Nakajima -- Quantum Chemistry for Studying Electronic Spectroscopy and Dynamics of Complex Molecular Systems / Hyun Woo Kim, Kyungmin Kim, Soo Wan Park, Young Min Rhee -- Theoretical and Experimental Molecular Spectroscopy of the Far-Ultraviolet Region / Masahiro Ehara, Yusuke Morisawa -- Weight Averaged Anharmonic Vibrational Calculations: Applications to Polypeptide, Lipid Bilayers, and Polymer Materials / Kiyoshi Yagi, Hiroki Otaki, Pai-Chi Li, Bo Thomsen, Yuji Sugita -- Chiral Recognition by Molecular Spectroscopy / Magdalena Pecul, Joanna Sadlej -- Quantum Approach of IR Line Shapes of Carboxylic Acids Using the Linear Response Theory / Paul Blaise, Olivier Henri-Rousseau, Adina Velcescu -- Theoretical Calculations Are a Strong Tool in the Investigation of Strong Intramolecular Hydrogen Bonds / Poul Erik Hansen, Aneta Jezierska, Jarosław J Panek, Jens Spanget-Larsen -- Spectral Simulation for Flexible Molecules in Solution with Quantum Chemical Calculations / Yukiteru Katsumoto -- Combination Analysis of Matrix-Isolation Spectroscopy and DFT Calculation / Nobuyuki Akai -- Role of Quantum Chemical Calculations in Elucidating Chemical Bond Orientation in Surface Spectroscopy / Dennis K Hore -- Dynamic and Static Quantum Mechanical Studies of Vibrational Spectra of Hydrogen-Bonded Crystals / Mateusz Z Brela, Marek Boczar, Łukasz Boda, Marek Janusz Wójcik -- Quantum Mechanical Simulation of Near-Infrared Spectra: Applications in Physical and Analytical Chemistry / Krzysztof B Beć, Justyna Grabska, Christian W Huck, Yukihiro Ozaki -- Local Modes of Vibration: The Effect of Low-Frequency Vibrations / Emil Vogt, Anne S Hansen, Henrik G Kjaergaard -- Intra- and Intermolecular Vibrations of Organic Semiconductors and Their Role in Charge Transport / Andrey Yu Sosorev, Ivan Yu Chernyshov, Dmitry Yu Paraschuk, Mikhail V Vener -- Effects of Non-covalent Interactions on Molecular and Polymer Individuality in Crystals Studied by THz Spectroscopy and Solid-State Density Functional Theory / Feng Zhang, Keisuke Tominaga, Michitoshi Hayashi, Takashi Nishino -- Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods / Julien Guthmuller -- Density Functional Theoretical Study on Surface-Enhanced Raman Spectroscopy of CH2/NH2 Wagging Modes in p-[pi] Conjugated Molecules on Noble Metal Surfaces / De-Yin Wu, Yan-Li Chen, Yuan-Fei Wu, Zhong-Qun Tian -- Modeling Plasmonic Optical Properties Using Semiempirical Electronic Structure Calculations / Chelsea M Mueller, Rebecca LM Gieseking, George C Schatz.