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"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
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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 ...
Chemical cross-linking/mass spectrometry targeting acidic residues in proteins and protein complexes.
Chemical cross-linking/mass spectrometry targeting acidic residues proteins protein complexes.
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2015/12/11
The study of proteins and protein complexes using chemical cross-linking followed by the MS identification of the cross-linked peptides has found increasingly widespread use in recent years. Thus far,...
Improving the representation of secondary organic aerosol (SOA) in the MOZART-4 global chemical transport model
secondary organic aerosol MOZART-4
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2014/12/12
The secondary organic aerosol (SOA) module
in the Model for Ozone and Related Chemical Tracers,
version 4 (MOZART-4) was updated by replacing existing two-product (2p) parameters with those obtained...
Chemical, stoichiometric and thermal analysis of fatty acid methyl esters from processed animal fat
biofuel rendering plant fat transesterification net calorific value emissions
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2014/2/24
The paper focuses on liquid biofuel raised by transesterification of processed animal fat from rendering plant production suitable for energy use. The objective of the paper is to carry out an element...
Phase Transition Induced Vertical Alignment of Ultrathin Gallium Phosphide Nanowire Arrays on Silicon by Chemical Beam Epitaxy
Vertical Alignment Ultrathin Gallium Phosphide Nanowire Arrays Silicon Chemical Beam Epitaxy
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2016/12/2
CBE and CVD were performed in an ultra-high vacuum (UHV) system. The background pressure was kept at 1 × 10-10 mbar. The Au was deposited by MBE on a hydrogen terminated Si substrate with a surface te...
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
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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...
Application of Laser Ablation-Inductively Coupled Plasma-Mass Spectrometry to studies of chemical diffusion, sorption, and transport in natural rock
imbibition diffusion sorption transport rock
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2017/4/11
We applied laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) techniques to make spatial
measurements of chemical tracer concentrations in three natural rock types (tuff, sandsto...
Dissolved ion analyses of stream water from bamboo forests: Implication for enhancement of chemical weathering by bamboo
weathering rate plagioclase dissolved ions bamboo stream water
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2017/4/11
Dissolved ion analyses of stream water were conducted monthly in three catchments of varying bamboo coverage of
similar geological setting for one year. We found that the concentration of dissolved S...
Dynamic clustering in active colloidal suspensions with chemical signaling
Dynamic cluster active colloidal suspensions chemical signaling
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2012/2/29
In this paper, we explore experimentally the phase behavior of a dense active suspension of self- propelled colloids. In addition to a solid-like and a gas-like phase observed for high and low densiti...
Effect of discontinuities in Kohn-Sham-based chemical reactivity theory
Effect of discontinuities Kohn-Sham-based chemical reactivity theory Fukui function
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2012/2/29
We provide a new derivation of a formula for the Fukui function of density-functional chemical reactivity theory which incorporates the discontinuities in the Kohn-Sham reference system. Orbital relax...
Hierarchy of local chemical reactivity indices originated from a local energy
Hierarchy local chemical reactivity local energy chemical hardness
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2011/8/11
Abstract: The traditional way of defining a local measure of chemical hardness has several drawbacks, which undermine the applicability of that local hardness concept. We propose a new approach to thi...
Advanced quasi-steady state approximation for chemical kinetics
quasi-steady state approximation chemical kinetics
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2011/8/3
Abstract: Computational feasibility of turbulent reacting flows hinges on the reduction of large chemical kinetics systems to smaller more manageable reaction sets. Recently, several sophisticated red...
Coarse-grained Simulations of Chemical Oscillation in Lattice Brusselator System
Chemical oscillation Coarse-grained Kinetic Monte Carlo
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2012/4/5
The oscillation behavior of a two-dimension lattice-gas Brusselator model was investigated. We have adopted a coarse-grained kinetic Monte Carlo (CG-KMC) procedure, where m￡m microscopic lattice sites...
Quantum chemical studies on tautomerism and basicity behavior of some 1,2,4-triazole derivatives
tautomerism acidity constant nucleophilicity
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2010/12/29
The acidity constants, relative stabilities, and tautomeric equilibrium constants of some 1,2,4-triazole derivatives were determined using the density functional theory (DFT) with the B3LYP method and...
Quantum chemical studies on tautomerism and basicity behavior of some 1,2,4-triazole derivatives
1,2,4-Triazole proton affinity tautomerism acidity constant nucleophilicity
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2010/12/20
The acidity constants, relative stabilities, and tautomeric equilibrium constants of some 1,2,4-triazole derivatives were determined using the density functional theory (DFT) with the B3LYP method and...