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The electronic excited states of gre...

Olsen, Seth Carlton.

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The electronic excited states of green fluorescent protein chromophore models.

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	The electronic excited states of green fluorescent protein chromophore models./
作者:	Olsen, Seth Carlton.
面頁冊數:	240 p.
附註:	Source: Dissertation Abstracts International, Volume: 65-04, Section: B, page: 1733.
Contained By:	Dissertation Abstracts International65-04B.
標題:	Biophysics, General. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3130995
ISBN:	0496782436

The electronic excited states of green fluorescent protein chromophore models.
Olsen, Seth Carlton.

The electronic excited states of green fluorescent protein chromophore models. - 240 p.

Source: Dissertation Abstracts International, Volume: 65-04, Section: B, page: 1733.

Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2004.

We explore the properties of quantum chemical approximations to the excited states of model chromophores of the green fluorescent protein of A. victoria. We calculate several low-lying states by several methods of quantum chemical calculation, including state-averaged complete active space SCF (CASSCF) methods, time dependent density functional theory (TDDFT), equation-of motion coupled cluster (EOM-CCSD) and multireference perturbation theory (MRPT). Amongst the low-lying states we identify the optically bright pipi* state of the molecules and examine its properties. We demonstrate that the state is dominated by a single configuration function. We calculate zero-time approximations to the resonance Raman spectrum of GFP chromophore models, and assign published spectra based upon these.

ISBN: 0496782436Subjects--Topical Terms:

1019105
Biophysics, General.

The electronic excited states of green fluorescent protein chromophore models.
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245 1 4 $a The electronic excited states of green fluorescent protein chromophore models.
300 $a 240 p.
500 $a Source: Dissertation Abstracts International, Volume: 65-04, Section: B, page: 1733.
500 $a Adviser: Todd J. Martinez.
502 $a Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2004.
520 $a We explore the properties of quantum chemical approximations to the excited states of model chromophores of the green fluorescent protein of A. victoria. We calculate several low-lying states by several methods of quantum chemical calculation, including state-averaged complete active space SCF (CASSCF) methods, time dependent density functional theory (TDDFT), equation-of motion coupled cluster (EOM-CCSD) and multireference perturbation theory (MRPT). Amongst the low-lying states we identify the optically bright pipi* state of the molecules and examine its properties. We demonstrate that the state is dominated by a single configuration function. We calculate zero-time approximations to the resonance Raman spectrum of GFP chromophore models, and assign published spectra based upon these.
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650 4 $a Chemistry, Physical. $3 560527
650 4 $a Physics, Molecular. $3 1018648
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