The role of solvent structure in the absorption spectrum of solvated electrons: mixed quantum/classical simulations in tetrahydrofuran.
about
Electron spin resonance studies of the reorientational motion of Ni(mnt)2(-).Photoelectron imaging of tetrahydrofuran cluster anions (THF)(n) (-) (1≤n≤100).Searching for solvent cavities via electron photodetachment: the ultrafast charge-transfer-to-solvent dynamics of sodide in a series of ether solvents.First principles multielectron mixed quantum/classical simulations in the condensed phase. II. The charge-transfer-to-solvent states of sodium anions in liquid tetrahydrofuran.The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.A computationally efficient exact pseudopotential method. II. Application to the molecular pseudopotential of an excess electron interacting with tetrahydrofuran (THF).The roles of the solute and solvent cavities in charge-transfer-to-solvent dynamics: ultrafast studies of potasside and sodide in diethyl ether.Linear response breakdown in solvation dynamics induced by atomic electron-transfer reactions.Moving solvated electrons with light: nonadiabatic mixed quantum/classical molecular dynamics simulations of the relocalization of photoexcited solvated electrons in tetrahydrofuran (THF).Degradation of an Ethylene Carbonate/Diethyl Carbonate Mixture by Using Ionizing Radiation.Cross sections for electron trapping by DNA and its component subunits I: Condensed tetrahydrofuran deposited on Kr.
P2860
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P2860
The role of solvent structure in the absorption spectrum of solvated electrons: mixed quantum/classical simulations in tetrahydrofuran.
description
2005 nî lūn-bûn
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2005年の論文
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2005年学术文章
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2005年学术文章
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2005年学术文章
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2005年学术文章
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2005年学术文章
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2005年學術文章
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name
The role of solvent structure ...... imulations in tetrahydrofuran.
@en
The role of solvent structure ...... imulations in tetrahydrofuran.
@nl
type
label
The role of solvent structure ...... imulations in tetrahydrofuran.
@en
The role of solvent structure ...... imulations in tetrahydrofuran.
@nl
prefLabel
The role of solvent structure ...... imulations in tetrahydrofuran.
@en
The role of solvent structure ...... imulations in tetrahydrofuran.
@nl
P2860
P356
P1476
The role of solvent structure ...... imulations in tetrahydrofuran.
@en
P2093
Michael J Bedard-Hearn
Ross E Larsen
P2860
P304
P356
10.1063/1.1867378
P407
P577
2005-04-01T00:00:00Z