Molecular Spectroscopy
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Published By Wiley-VCH Verlag Gmbh & Co. Kgaa

9783527814596, 9783527344611
Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Interpretability Meets Accuracy in Computational Spectroscopy: The Virtual Multifrequency Spectrometer

2019 ◽  
pp. 1-42
Author(s):  
Vincenzo Barone ◽  
Cristina Puzzarini
Keyword(s):  
Computational Spectroscopy

Dynamic and Static Quantum Mechanical Studies of Vibrational Spectra of Hydrogen‐Bonded Crystals

2019 ◽  
pp. 327-352
Author(s):  
Mateusz Z. Brela ◽  
Marek Boczar ◽  
Łukasz Boda ◽  
Marek Janusz Wójcik
Keyword(s):  
Vibrational Spectra ◽  
Quantum Mechanical ◽  
Mechanical Studies ◽  
Hydrogen Bonded

Chiral Recognition by Molecular Spectroscopy

2019 ◽  
pp. 171-198
Author(s):  
Magdalena Pecul ◽  
Joanna Sadlej
Keyword(s):  
Chiral Recognition ◽  
Molecular Spectroscopy

Excited State Dynamics in NTChem

2019 ◽  
pp. 43-77
Author(s):  
Takehiro Yonehara ◽  
Noriyuki Minezawa ◽  
Takahito Nakajima
Keyword(s):  
Excited State ◽  
Excited State Dynamics

Intra‐ and Intermolecular Vibrations of Organic Semiconductors and Their Role in Charge Transport

2019 ◽  
pp. 425-458 ◽  
Author(s):  
Andrey Yu. Sosorev ◽  
Ivan Yu. Chernyshov ◽  
Dmitry Yu. Paraschuk ◽  
Mikhail V. Vener
Keyword(s):  
Charge Transport ◽  
Organic Semiconductors ◽  
Intermolecular Vibrations

Quantum Mechanical Simulation of Near-Infrared Spectra: Applications in Physical and Analytical Chemistry

2019 ◽  
pp. 353-388 ◽  
Author(s):  
Krzysztof B. Beć ◽  
Justyna Grabska ◽  
Christian W. Huck ◽  
Yukihiro Ozaki
Keyword(s):  
Analytical Chemistry ◽  
Infrared Spectra ◽  
Near Infrared ◽  
Quantum Mechanical ◽  
Mechanical Simulation ◽  
Near Infrared Spectra

Quantum Approach of IR Line Shapes of Carboxylic Acids Using the Linear Response Theory

2019 ◽  
pp. 199-214
Author(s):  
Paul Blaise ◽  
Olivier Henri‐Rousseau ◽  
Adina Velcescu
Keyword(s):  
Carboxylic Acids ◽  
Linear Response ◽  
Linear Response Theory ◽  
Response Theory ◽  
Line Shapes ◽  
Quantum Approach

Weight Averaged Anharmonic Vibrational Calculations: Applications to Polypeptide, Lipid Bilayers, and Polymer Materials

2019 ◽  
pp. 147-170
Author(s):  
Kiyoshi Yagi ◽  
Hiroki Otaki ◽  
Pai‐Chi Li ◽  
Bo Thomsen ◽  
Yuji Sugita
Keyword(s):  
Lipid Bilayers ◽  
Polymer Materials
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