Nonlinear Terahertz Response of Solvated Electrons in Liquid Water

The manuscript analyzes the accuracy of our recently developed reciprocal polarizable embedding scheme, where a density functional theory model of the QM region is coupled to a dipole- and quadrupole polarizable water potential of the MM region. We present calculations of water clusters and liquid water where we analyze the energy, atomic forces and total polarization to demonstrate that artifacts in energy and polarization introduced by the QM/MM coupling are small and well-behaved. Furthermore, our methodology improves the consistency of the structure of optimized water hexamer geometries when compared to results obtained with models that neglect polarization. Additionally, the manuscript provides evidence that our coupling scheme eliminates artifacts in the structure of liquid water obtained with simpler electrostatic embedding models.

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Lichens of the Oasis Molodyozhnyi and adjacent areas (Enderby Land, Antarctic)

Novosti sistematiki nizshikh rastenii ◽

10.31111/nsnr/2013.47.167 ◽

2013 ◽

Vol 47 ◽

pp. 167-178 ◽

Cited By ~ 1

Author(s):

M. P. Andreev

Keyword(s):

Liquid Water ◽

Climate Conditions ◽

Water Ice ◽

Buellia Frigida ◽

Antarctic Continent ◽

Harsh Climate ◽

The Antarctic ◽

First Time ◽

Lichen Flora

Lichen flora and vegetation in the vicinity of the Russian base «Molodyozhnaya» (Enderby Land, Antarctica) were investigated in 2010–2011 in details for the first time. About 500 specimens were collected in 100 localities in all available ecotopes. The lichen flora is the richest in the region and numbers 39 species (21 genera, 11 families). The studied vegetation is very poor and sparse, but typical for coastal oases of the Antarctic continent. The poorness is caused by the extremely harsh climate conditions, insufficient availability of liquid water, ice-free land, and high insolation levels. The dominant and most common lichens are Rinodina olivaceobrunnea, Amandinea punctata, Candelariella flava, Physcia caesia, Caloplaca tominii, Lecanora expectans, Caloplaca ammiospila, Lecidea cancriformis, Pseudephebe minuscula, Lecidella siplei, Umbilicaria decussata, Buellia frigida, Lecanora fuscobrunnea, Usnea sphacelata, Lepraria and Buellia spp.

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L'eau à la surface des continents : une approche zonale (Continental liquid water : a zonal approach)

Bulletin de l Association de géographes français ◽

10.3406/bagf.1996.1895 ◽

1996 ◽

Vol 73 (2) ◽

pp. 145-149

Author(s):

Denis Lamarre

Keyword(s):

Liquid Water

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Faculty Opinions recommendation of Probing the collective vibrational dynamics of a protein in liquid water by terahertz absorption spectroscopy.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1032614.374726 ◽

2006 ◽

Author(s):

Martin Gruebele

Keyword(s):

Absorption Spectroscopy ◽

Liquid Water ◽

Vibrational Dynamics ◽

Terahertz Absorption

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Flow patterns of two-component liquid water-exxsol mixture in a horizontal channel

Transactions of Academenergo ◽

10.34129/2070-4755-2019-56-3-7-15 ◽

2019 ◽

Vol 56 ◽

pp. 7-15

Author(s):

I.А. DAVLETSHIN ◽

◽

A.A. Valeev ◽

N.I. Mikheev ◽

A.A. Paereliy ◽

...

Keyword(s):

Liquid Water ◽

Flow Patterns ◽

Horizontal Channel ◽

Two Component

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Photoredox Reactions of Iodo Iron(III) Complexes Containing Tetradentate Ligands

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc20010109 ◽

2001 ◽

Vol 66 (1) ◽

pp. 109-118 ◽

Cited By ~ 4

Author(s):

Jozef Šima ◽

Dáša Lauková ◽

Vlasta Brezová

Keyword(s):

Schiff Bases ◽

Spin Trapping ◽

Molar Ratio ◽

Oh Radicals ◽

Solvated Electrons ◽

Open Chain ◽

Tetradentate Ligands ◽

Visible Irradiation ◽

Epr Spin Trapping ◽

Spin Trapping Technique

Photoredox reactions occurring in irradiated methanolic solutions of trans-[FeIII(R,R'-salen)(CH3OH)I], where R,R'-salen2- are N,N'-ethylenebis(R,R'-salicylideneiminato), tetradentate open-chain N2O2-Schiff bases with R,R' = H, 5-Cl, 5-Br, 3,5-di-Br, 3,5-di-(CH3), 3-OCH3, 5-OCH3, have been investigated and their mechanism proposed. The complexes are redox-stable in the dark. Ultraviolet and/or visible irradiation of methanolic solution of the complexes induces photoreduction of Fe(III) to Fe(II). Depending on the composition of the irradiated solutions, •CH2OH radicals or solvated electrons were identified by the EPR spin trapping technique. The final product of the photooxidation coupled with the photoreduction of Fe(III) is formaldehyde and the molar ratio of Fe(II) and CH2O is close to 2 : 1. The efficiency of the photoredox process is strongly wavelength-dependent and influenced by the peripheral groups R,R' of the tetradentate ligands.

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