scholarly journals Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics

2007 ◽  
Vol 127 (18) ◽  
pp. 184303 ◽  
Author(s):  
Oriol Vendrell ◽  
Fabien Gatti ◽  
Hans-Dieter Meyer
Keyword(s):  
Infrared Spectrum ◽  
Water Dimer ◽  
Vibrational Dynamics ◽  
Quantum Dynamical ◽  
Dynamical Simulation

Rovibrational transitions of the methane–water dimer from intermolecular quantum dynamical computations

2016 ◽  
Vol 18 (33) ◽  
pp. 22816-22826 ◽  
Author(s):  
János Sarka ◽  
Attila G. Császár ◽  
Stuart C. Althorpe ◽  
David J. Wales ◽  
Edit Mátyus
Keyword(s):  
Infrared Spectrum ◽  
Far Infrared ◽  
Water Dimer ◽  
Quantum Dynamical

Quantum dynamical computations of the methane–water dimer explain the far-infrared spectrum of this important prototype of a water–hydrocarbon interaction.

scholarly journals Quantum dynamical simulation of intramolecular singlet fission in covalently coupled pentacene dimers

2019 ◽  
Vol 151 (4) ◽  
pp. 044307 ◽  
Author(s):  
S. Rajagopala Reddy ◽  
Pedro B. Coto ◽  
Michael Thoss
Keyword(s):  
Singlet Fission ◽  
Quantum Dynamical ◽  
Dynamical Simulation

Water Dimer in Solid Neon. Far-Infrared Spectrum

2004 ◽  
Vol 108 (31) ◽  
pp. 6499-6502 ◽  
Author(s):  
Justinas Ceponkus ◽  
Bengt Nelander
Keyword(s):  
Infrared Spectrum ◽  
Far Infrared ◽  
Water Dimer

Infrared Spectrum of the Protonated Water Dimer in the Gas Phase

2004 ◽  
Vol 108 (42) ◽  
pp. 9008-9010 ◽  
Author(s):  
Travis D. Fridgen ◽  
Terry B. McMahon ◽  
Luke MacAleese ◽  
Joel Lemaire ◽  
Philippe Maitre
Keyword(s):  
Infrared Spectrum ◽  
Gas Phase ◽  
Water Dimer
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