M A Wilson,A Pohorille,L R Pratt
M A Wilson
The results of molecular dynamics calculations on the equilibrium interface between liquid water and its vapor at 325 K are presented. For the TIP4P model of water intermolecular pair potentials, the average surface dipole density points fr...
Structure and Energetics of model amphiphilic molecules at the water liquid-vapor interface. A molecular dynamics study [0.03%]
模型两亲性分子在水体相-气相界面的结构和能量学研究——分子动力学模拟
A Pohorille,I Benjamin
A Pohorille
A molecular dynamics study of adsorption of p-n-pentylphenol at infinite dilution at the water liquid-vapor interface is reported. The calculated free energy of adsorption is -8.8 +/- 0.7 kcal/mol, in good agreement with the experimental va...
Ultrafast energy transfer in chlorosomes from the green photosynthetic bacterium Chloroflexus aurantiacus [0.03%]
来源于绿色光合细菌的氯体中的超快能量转移机制研究氯球体中快速能源转换机制的研究氯体中超快能量传递
S Savikhin,Y Zhu,R E Blankenship et al.
S Savikhin et al.
Energy transfers between the bacteriochlorophyll c and a antennae in light-harvesting chlorosomes from the green bacterium Chloroflexes aurantiacus have been studied in two-color pump-probe experiments with improved sensitivity and waveleng...
Qy-excitation resonance Raman spectra of chlorophyll a and bacteriochlorophyll c/d aggregates. Effects of peripheral substituents on the low-frequency vibrational characteristics [0.03%]
叶绿素a和细菌叶绿素c/d聚合物的Qy激发共振拉曼光谱。周边取代基对低频振动特征的影响
J R Diers,Y Zhu,R E Blankenship et al.
J R Diers et al.
Low-frequency (80-700 cm-1) Qy-excitation resonance Raman (RR) spectra are reported for thin-solid-film aggregates of several chlorophyll (Chl) a and bacteriochlorophyll (BChl) c/d pigments. The pigments include Chl a, pyrochlorophyll a (PC...
Infrared spectroscopy of matrix-isolated polycyclic aromatic hydrocarbon cations. 2. The members of the thermodynamically most favorable series through coronene [0.03%]
基质隔离多环芳香烃阳离子的红外光谱。第二部分：至冠状物质系列中最有利于热力学的成员
D M Hudgins,L J Allamandola
D M Hudgins
Gaseous, ionized polycyclic aromatic hydrocarbons (PAHs) are thought to be responsible for a very common family of interstellar infrared emission bands. Here the near- and mid-infrared spectra of the cations of the five most thermodynamical...
Infrared spectroscopy of matrix-isolated polycyclic aromatic hydrocarbon cations. 3. The polyacenes anthracene, tetracene, and pentacene [0.03%]
基质隔离多环芳香烃阳离子的红外光谱。第三部分：紫苏英、菲勒关并五苯阳离子
D M Hudgins,L J Allamandola
D M Hudgins
Gaseous, ionized polycyclic aromatic hydrocarbons (PAHs) are thought to be responsible for a very common family of interstellar infrared emission bands. Unfortunately, very little infrared spectroscopic data are available on ionized PAHs. H...
Chloryl nitrate: a novel product of the OClO + NO3 + M recombination [0.03%]
氯化硝酸：OClO + NO3 + M 重组的新型产物
R R Friedl,S P Sander,Y L Yung
R R Friedl
The products of the reaction of OClO with NO3 were investigated between 220 and 298 K using a flow reactor and infrared, visible, and ultraviolet analysis. At temperatures below 250 K new infrared and ultraviolet absorption features were ob...
F Pauzat,D Talbi,M D Miller et al.
F Pauzat et al.
We report the results of a theoretical study of the effect of ionization on the IR spectrum of naphthalene, using ab initio molecular orbital theory. For that purpose we determined the structures, band frequencies, and intensities of neutra...
Optical spectroscopy of a highly fluorescent aggregate of bacteriochlorophyll c [0.03%]
发光菌绿素c聚集体的光学谱学研究
T P Causgrove,P Cheng,D C Brune et al.
T P Causgrove et al.
Bacteriochlorophyll (BChl) c and a similar model compound, Mg-methyl bacteriopheophorbide d, form several types of aggregates in nonpolar solvents. One of these aggregates is highly fluorescent, with a quantum yield higher than that of the ...