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复旦大学高分子系高分子物理课件 Condensed States of Polymers
复旦大学高分子系 高分子物理 课件 Condensed States of Polymers
2016/11/14
复旦大学高分子系高分子物理课件 Condensed States of Polymers.
Nuclear Magnetic Resonance of Photoexcited Triplet States. I. The Measurement of the Rate of Degenerate Singlet-Triplet Exchange for Anthracene in Solution
Nuclear Magnetic Resonance Photoexcited Triplet States Measurement Degenerate Singlet-Triplet Exchange for Anthracene
2016/5/20
The N M R spectroscopy of molecules undergoing rapid exchange between diamagnetic and paramagnetic environments is well understood and is exemplified in studies of fast electron transfer between an or...
"The Effect of Magnesium Coordination on the 13C and 15N Magnetic Resonance Spectra of Chlorophyll a.The Relative Energies of Nitrogen np States as Deduced from a Complete Assignment of Chemical Shifts"
Magnesium Coordination 13C and 15N Magnetic Resonance Spectra Nitrogen np States Complete Assignment Chemical Shifts
2016/5/20
The 5 5 13Cand 4 I5Nnmr transitions in chlorophyll a and its magnesium-free derivative pheophytin a have been assigned. Emphasis is placed on the quaternary carbon atoms of the macrocycle which carry ...
Widespread Occurrence and Distribution of Bisphenol A Diglycidyl Ether (BADGE) and its Derivatives in Human Urine from the United States and China
Widespread Occurrence and Distribution of Bisphenol A Diglycidyl Ether BADGE its Derivatives in Human Urine the United States China
2013/12/12
Despite reports of the occurrence of bisphenol A diglycidyl ether (BADGE) and its derivatives in canned foods and consumer products, biomonitoring studies of human exposure to these compounds are lack...
Experimental Verification of the Chemical Sensitivity of Two-Site Double Core-Hole States Formed by an X-ray FEL
Experimental Verification Chemical Sensitivity Two-Site Double Core-Hole States X-ray FEL
2012/5/17
We have performed X-ray two-photon photoelectron spectroscopy (XTPPS) using the Linac Coherent Light Source (LCLS) X-ray free-electron laser (FEL) in order to study double core-hole (DCH) states of CO...
SAC-CI Calculation of a Series of the Lowest 2-Pi-States of HCl+ and HBr+ Ions
diatomic molecule potential curves HCl+, HBr+ SAC-CI method
2012/2/29
The symmetry-adapted-cluster configuration interaction (SAC-CI) method is used for ab initio calculation of electronic structure of HCl+ and HBr+ molecular ions. Potential energy curves (PEC) are obta...
Error analysis of free probability approximations to the density of states of disordered systems
Massachusetts Institute of Technology
2012/2/29
Theoretical studies of localization, anomalous diffusion and ergodicity breaking require solving the electronic structure of disordered systems. We use free probability to approximate the ensemble- av...
Supersymmetry identifies molecular Stark states whose eigenproperties can be obtained analytically
orientation, alignment, Stark e ect, combined elds, induced-dipole interaction, supersymmetry in quantum mechanics, shape-invariance, Schrodinger equation, exact solvability, analytic wavefu
2011/9/5
We made use of supersymmetric (SUSY) quantum mechanics to nd a condition under which the Stark e ect problem for a polar and polarizable closed-shell diatomic molecule subject to collinear electrosta...
Shape coexistence of high-spin isomeric states in proton-rich A~190 nuclei
high-spin isomer shape coexistence configuration-constrained calculation
2009/8/14
High-spin isomeric states in proton-rich A~190 nuclei have been investigated using configuration-constrained calculations of potential-energy surfaces. The calculations reproduce reasonably the experi...
Cu-MCM-41介孔分子筛中不同价态铜上的吸附性能研究（Adsorption Behavior of Copper with Different Valences States in Cu-MCM-41）
Cu-MCM-41 介孔材料 CO吸附 C2H4吸附 吸附量热 红外光谱
2010/8/25
合成了不同铜含量的Cu-MCM-41，高温还原后仍具有良好的介孔结构。孔壁中的铜容易被H2还原为Cu(0)。通过在氦气流中加热，可以导致孔壁中的Cu(II)还原为Cu(I)。MCM-41中不同价态的铜具有不同的吸附性能：Cu(0)强烈吸附O2，吸附热高达427 kJ·mol-1；Cu(I)在室温下几乎不吸附O2，表明Cu(I)在室温下较稳定；而Cu(I)在对CO与C2H4的吸附中，除了CO的吸附热...
Nonadiabatic instanton calculation of multistate electron transfer reaction rate: Interference effects in three and four states systems
Nonadiabatic instanton calculation multi state electron transfer reaction rate three and four states systems
2014/9/24
For multistate electron transfer reactions with quantum reaction coordinates, nonadiabatic instanton theory can provide a powerful and direct means of calculating the reaction rate without any limitat...