electronic spectra

 
National Institutes of Health

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2015
2015
Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of… (More)
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2013
2013
Two-dimensional electronic spectroscopy (2DES) is a cuttingedge technique for investigating with high temporal resolution energy… (More)
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2011
2011
Highly accurate excitation spectra are predicted for the low-lying n-π* and π-π* states of uracil for both the gas phase and in… (More)
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2009
2009
We present a sequence of two-dimensional electronic spectra of a prototypical cyanine dye, whose spectral properties in aqueous… (More)
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2005
2005
Rotationally resolved S(1) <-- S(0) electronic spectra of 1,2-dimethoxybenzene (DMB) and its water complex have been observed and… (More)
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2005
2005
The geometries of hydroxy derivatives of 1,4-naphthoquinone (NQ), viz., 2-hydroxy-1,4-naphthoquinone (2HNQ), 5-hydroxy-1,4… (More)
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2004
2004
We report gas-phase electronic spectra of formamide, N-methyformamide, acetamide, and N-methylacetamide at 300 K calculated using… (More)
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2003
2003
We report accurate geometries and harmonic force fields for trans- and cis-azobenzene determined by second-order Møller-Plesset… (More)
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1990
1990
Polarized electronic absorption spectra of the (100) face of single crystals of the Z-form double helical duplex of d(m5CGUAm5CG… (More)
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1980
1980
Riboflavin tetrabutyrate undergoes characteristic spectral changes, in both the first and second absorption band regions, upon… (More)
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