Effects of stearyl alcohol monolayer on the structure, dynamics and vibrational sum frequency generation spectroscopy of interfacial waterElectronic supplementary information (ESI) available: Additional results of the effect of partial charges of STA molecules on the orientational structure and imaginary χ(2)(ω) spectrum of interfacial water, the density distributions of the interfaces calculated using the method of instantaneous surfaces, slab radial distribution functions of interfacial water, and the surface potentials of STA–water and TBA–water interfaces for the SPC/E water model. The results of the orientational structure, imaginary χ(2)(ω) and intensity of the VSFG spectrum of the STA–water interface for the TIP4P/2005 model of water. The results of calculated intensity of the VSFG signal of the STA–water interface for a non-zero value of the non-resonant contribution is also included for the SPC/E model. See DOI: 10.1039/d1cp04944e
In: Physical chemistry chemical physics, Jg. 24 (2022), Heft 12, S. 7374-7386
serialPeriodical
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Titel: |
Effects of stearyl alcohol monolayer on the structure, dynamics and vibrational sum frequency generation spectroscopy of interfacial waterElectronic supplementary information (ESI) available: Additional results of the effect of partial charges of STA molecules on the orientational structure and imaginary χ(2)(ω) spectrum of interfacial water, the density distributions of the interfaces calculated using the method of instantaneous surfaces, slab radial distribution functions of interfacial water, and the surface potentials of STA–water and TBA–water interfaces for the SPC/E water model. The results of the orientational structure, imaginary χ(2)(ω) and intensity of the VSFG spectrum of the STA–water interface for the TIP4P/2005 model of water. The results of calculated intensity of the VSFG signal of the STA–water interface for a non-zero value of the non-resonant contribution is also included for the SPC/E model. See DOI: 10.1039/d1cp04944e
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Autor/in / Beteiligte Person: | Das, Banshi ; Chandra, Amalendu |
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Zeitschrift: | Physical chemistry chemical physics, Jg. 24 (2022), Heft 12, S. 7374-7386 |
Veröffentlichung: | 2022 |
Medientyp: | serialPeriodical |
ISSN: | 1463-9076 (print) |
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