Invited review - Overview of theoretical and computational methods applied to the oxygen-organic molecule photosystem

被引:101
作者
Paterson, Martin J.
Christiansen, Ove
Jensen, Frank
Ogilby, Peter R.
机构
[1] Aarhus Univ, Dept Chem, DK-8000 Aarhus, Denmark
[2] Univ So Denmark, Dept Chem, DK-5230 Odense, Denmark
关键词
D O I
10.1562/2006-03-17-IR-851
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
The challenges of using modern theoretical and computational tools to model the unique features of the oxygen-organic molecule photosystem are discussed from a historical and pedagogical perspective. This review is written for the novice, but the problems formulated should stimulate the expert.
引用
收藏
页码:1136 / 1160
页数:25
相关论文
共 164 条
[1]   Absorption spectrum of singlet oxygen (a1Δg→b1Σg+) in D2O:: Enabling the test of a model for the effect of solvent on oxygen's radiative transitions [J].
Andersen, LK ;
Ogilby, PR .
JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (46) :11064-11069
[2]  
ATKINS PW, 2004, MOL QUANTUM MECH
[3]   ABSOLUTE INTENSITIES OF DISCRETE AND CONTINUOUS ABSORPTION BANDS OF OXYGEN GAS AT 1.26 AND 1.065 MU AND RADIATIVE LIFETIME OF 1LAMDAG STATE OF OXYGEN [J].
BADGER, RM ;
WRIGHT, AC ;
WHITLOCK, RF .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (12) :4345-&
[4]  
Bally T, 1999, REV COMP CH, V13, P1, DOI 10.1002/9780470125908.ch1
[5]   THEORETICAL-ANALYSIS OF THE 2-PHOTON PROPERTIES OF LINEAR POLYENES AND THE VISUAL CHROMOPHORES [J].
BIRGE, RR ;
PIERCE, BM .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (01) :165-178
[6]   CAS MCSCF/CAS MCQDPT2 study of the mechanism of singlet oxygen addition to 1,3-butadiene and benzene [J].
Bobrowski, M ;
Liwo, A ;
Oldziej, S ;
Jeziorek, D ;
Ossowski, T .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (34) :8112-8119
[7]   TRIPLET-STATE ENERGY-DEPENDENCE OF THE COMPETITIVE FORMATION OF O2(1-SIGMA-G+), O2(1-DELTA-G) AND O2(3-SIGMA-G-) IN THE SENSITIZATION OF O2 BY TRIPLET-STATES [J].
BODESHEIM, M ;
SCHUTZ, M ;
SCHMIDT, R .
CHEMICAL PHYSICS LETTERS, 1994, 221 (1-2) :7-14
[8]   Chemical reactivity of sigma singlet oxygen O-2(1 Sigma(+)(g)) [J].
Bodesheim, M ;
Schmidt, R .
JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (31) :5672-5677
[9]   SOLVENT SHIFT OF SINGLET OXYGEN EMISSION WAVELENGTH [J].
BROMBERG, A ;
FOOTE, CS .
JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (10) :3968-3969
[10]   VANDERWAALS AND CHARGE-TRANSFER COMPLEXES OF MOLECULAR-OXYGEN AND WATER [J].
BROWN, WB ;
VINCENT, MA ;
TROLLOPE, K ;
HILLIER, IH .
CHEMICAL PHYSICS LETTERS, 1992, 192 (2-3) :213-216