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Molecular Spectroscopy
Latest Publications
TOTAL DOCUMENTS
21
(FIVE YEARS 21)
H-INDEX
2
(FIVE YEARS 2)
Published By Wiley-VCH Verlag Gmbh & Co. Kgaa
9783527814596, 9783527344611
Latest Documents
Most Cited Documents
Contributed Authors
Related Sources
Related Keywords
Latest Documents
Most Cited Documents
Contributed Authors
Related Sources
Related Keywords
Interpretability Meets Accuracy in Computational Spectroscopy: The Virtual Multifrequency Spectrometer
Molecular Spectroscopy
◽
10.1002/9783527814596.ch1
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2019
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pp. 1-42
Author(s):
Vincenzo Barone
◽
Cristina Puzzarini
Keyword(s):
Computational Spectroscopy
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Dynamic and Static Quantum Mechanical Studies of Vibrational Spectra of Hydrogen‐Bonded Crystals
Molecular Spectroscopy
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10.1002/9783527814596.ch12
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2019
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pp. 327-352
Author(s):
Mateusz Z. Brela
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Marek Boczar
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Łukasz Boda
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Marek Janusz Wójcik
Keyword(s):
Vibrational Spectra
◽
Quantum Mechanical
◽
Mechanical Studies
◽
Hydrogen Bonded
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Chiral Recognition by Molecular Spectroscopy
Molecular Spectroscopy
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10.1002/9783527814596.ch6
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2019
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pp. 171-198
Author(s):
Magdalena Pecul
◽
Joanna Sadlej
Keyword(s):
Chiral Recognition
◽
Molecular Spectroscopy
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Excited State Dynamics in NTChem
Molecular Spectroscopy
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10.1002/9783527814596.ch2
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2019
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pp. 43-77
Author(s):
Takehiro Yonehara
◽
Noriyuki Minezawa
◽
Takahito Nakajima
Keyword(s):
Excited State
◽
Excited State Dynamics
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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
Molecular Spectroscopy
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10.1002/9783527814596.ch17
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2019
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pp. 497-536
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Cited By ~ 2
Author(s):
Julien Guthmuller
Keyword(s):
Quantum Chemistry
◽
Raman Spectra
◽
Resonance Raman
◽
Vibrational Resonance
◽
Resonance Raman Spectra
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Intra‐ and Intermolecular Vibrations of Organic Semiconductors and Their Role in Charge Transport
Molecular Spectroscopy
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10.1002/9783527814596.ch15
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2019
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pp. 425-458
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Cited By ~ 4
Author(s):
Andrey Yu. Sosorev
◽
Ivan Yu. Chernyshov
◽
Dmitry Yu. Paraschuk
◽
Mikhail V. Vener
Keyword(s):
Charge Transport
◽
Organic Semiconductors
◽
Intermolecular Vibrations
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Density Functional Theoretical Study on Surface‐Enhanced Raman Spectroscopy ofCH2/NH2Wagging Modes inp–πConjugated Molecules on Noble Metal Surfaces
Molecular Spectroscopy
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10.1002/9783527814596.ch18
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2019
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pp. 537-573
Author(s):
De‐Yin Wu
◽
Yan‐Li Chen
◽
Yuan‐Fei Wu
◽
Zhong‐Qun Tian
Keyword(s):
Raman Spectroscopy
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Noble Metal
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Metal Surfaces
◽
Density Functional
◽
Theoretical Study
◽
Surface Enhanced Raman Spectroscopy
◽
Surface Enhanced
◽
Surface Enhanced Raman
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Quantum Mechanical Simulation of Near-Infrared Spectra: Applications in Physical and Analytical Chemistry
Molecular Spectroscopy
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10.1002/9783527814596.ch13
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2019
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pp. 353-388
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Cited By ~ 5
Author(s):
Krzysztof B. Beć
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Justyna Grabska
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Christian W. Huck
◽
Yukihiro Ozaki
Keyword(s):
Analytical Chemistry
◽
Infrared Spectra
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Near Infrared
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Quantum Mechanical
◽
Mechanical Simulation
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Near Infrared Spectra
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Quantum Approach of IR Line Shapes of Carboxylic Acids Using the Linear Response Theory
Molecular Spectroscopy
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10.1002/9783527814596.ch7
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2019
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pp. 199-214
Author(s):
Paul Blaise
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Olivier Henri‐Rousseau
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Adina Velcescu
Keyword(s):
Carboxylic Acids
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Linear Response
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Linear Response Theory
◽
Response Theory
◽
Line Shapes
◽
Quantum Approach
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Weight Averaged Anharmonic Vibrational Calculations: Applications to Polypeptide, Lipid Bilayers, and Polymer Materials
Molecular Spectroscopy
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10.1002/9783527814596.ch5
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2019
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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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