Head-driven statistical models for natural language parsing are the most representative lexicalized syntactic parsing models, but they only utilize semantic dependency between words, and do not incorporate other seman...Head-driven statistical models for natural language parsing are the most representative lexicalized syntactic parsing models, but they only utilize semantic dependency between words, and do not incorporate other semantic information such as semantic collocation and semantic category. Some improvements on this distinctive parser are presented. Firstly, "valency" is an essential semantic feature of words. Once the valency of word is determined, the collocation of the word is clear, and the sentence structure can be directly derived. Thus, a syntactic parsing model combining valence structure with semantic dependency is purposed on the base of head-driven statistical syntactic parsing models. Secondly, semantic role labeling(SRL) is very necessary for deep natural language processing. An integrated parsing approach is proposed to integrate semantic parsing into the syntactic parsing process. Experiments are conducted for the refined statistical parser. The results show that 87.12% precision and 85.04% recall are obtained, and F measure is improved by 5.68% compared with the head-driven parsing model introduced by Collins.展开更多
The concept of resonance-assisted hydrogen bonds(RAHBs)highlights the synergistic interplay between theπ-resonance and hydrogen bonding interactions.This concept has been well-accepted in academia and is widely used ...The concept of resonance-assisted hydrogen bonds(RAHBs)highlights the synergistic interplay between theπ-resonance and hydrogen bonding interactions.This concept has been well-accepted in academia and is widely used in practice.However,it has been argued that the seemingly enhanced intramolecular hydrogen bonding(IMHB)in unsaturated compounds may simply be a result of the constraints imposed by theσ-skeleton framework.Thus,it is crucial to estimate the strength of IMHBs.In this work,we used two approaches to probe the resonance effect and estimate the strength of the IMHBs in the two exemplary cases of the enol forms of acetylacetone and o-hydroxyacetophenone.One approach is the block-localized wavefunction(BLW)method,which is a variant of the ab initio valence bond(VB)theory.Using this approach,it is possible to derive the geometries and energetics with resonance shut down.The other approach is Edmiston’s truncated localized molecular orbital(TLMO)technique,which monitors the energy changes by removing the delocalization tails from localized molecular orbitals.The integrated BLW and TLMO studies confirmed that the hydrogen bonding in these two molecules is indeed enhanced byπ-resonance,and that this enhancement is not a result ofσconstraints.展开更多
Based on the empirical electronic theory of solids and molecules （EET）, the actual model for unit cell of cementite （0-FeaC） was built and the valence electron structures （VES） of cementite with specified site a...Based on the empirical electronic theory of solids and molecules （EET）, the actual model for unit cell of cementite （0-FeaC） was built and the valence electron structures （VES） of cementite with specified site and a number of Fe atoms substituted by alloying atoms of M （ M=Cr, V, W, Mo, Mn ） were computed by statistical method. By defining P as the stability factor, the stability of alloyed cementite with different numbers and sites of Fe atoms substituted by M was calculated. Calculation results show that the density of lattice electrons, the symmetry of distribution of covalent electron pairs and bond energy have huge influence on the stability of alloyed cementite. It is more stable as M substitutes for FeE than for Fe1. The alloyed cementite is the most stable when Cr, Mo, W and V substitute for 2 atoms of Fe2 at the sites of Nos. 2 and 3 （or No. 6 and No. 7）. The stability of alloyed cementite decreases gradually as being substitutional doped by W, Cr, V, Mo and Mn.展开更多
The electrical conductivity of Cu-Li alloys was studied. And the distribution of electrons near Fermi surface was detected by synchrotron radiation instrument. The results show that the electrical conductivity of Cu-L...The electrical conductivity of Cu-Li alloys was studied. And the distribution of electrons near Fermi surface was detected by synchrotron radiation instrument. The results show that the electrical conductivity of Cu-Li alloys decreases from 5.22 X 10(-9) S/m to 3.69 X 10(-9) S/m with the increase of Li content. Li can decrease the oxygen, sulfur and other impurities content in commercial Cu, but Li dissolved in Cu lattice leads to distortion of Cu lattice from 0.005%-0.050%, affects the valence band of Cu, increases the binding energy of surface electron, and decreases the electron density of Fermi surface simultaneously. So the electrical conductivity decreases gradually with the increase of Li content.展开更多
A series of Mo-S and W-S clusters has been synthesized and used as catalysts in thereductive reaction of azobenzene.The reaction conditions are mild and the yields are fairlyhigh.The reaction mechanism is discussed.
基金Project(61262035) supported by the National Natural Science Foundation of ChinaProjects(GJJ12271,GJJ12742) supported by the Science and Technology Foundation of Education Department of Jiangxi Province,ChinaProject(20122BAB201033) supported by the Natural Science Foundation of Jiangxi Province,China
文摘Head-driven statistical models for natural language parsing are the most representative lexicalized syntactic parsing models, but they only utilize semantic dependency between words, and do not incorporate other semantic information such as semantic collocation and semantic category. Some improvements on this distinctive parser are presented. Firstly, "valency" is an essential semantic feature of words. Once the valency of word is determined, the collocation of the word is clear, and the sentence structure can be directly derived. Thus, a syntactic parsing model combining valence structure with semantic dependency is purposed on the base of head-driven statistical syntactic parsing models. Secondly, semantic role labeling(SRL) is very necessary for deep natural language processing. An integrated parsing approach is proposed to integrate semantic parsing into the syntactic parsing process. Experiments are conducted for the refined statistical parser. The results show that 87.12% precision and 85.04% recall are obtained, and F measure is improved by 5.68% compared with the head-driven parsing model introduced by Collins.
文摘The concept of resonance-assisted hydrogen bonds(RAHBs)highlights the synergistic interplay between theπ-resonance and hydrogen bonding interactions.This concept has been well-accepted in academia and is widely used in practice.However,it has been argued that the seemingly enhanced intramolecular hydrogen bonding(IMHB)in unsaturated compounds may simply be a result of the constraints imposed by theσ-skeleton framework.Thus,it is crucial to estimate the strength of IMHBs.In this work,we used two approaches to probe the resonance effect and estimate the strength of the IMHBs in the two exemplary cases of the enol forms of acetylacetone and o-hydroxyacetophenone.One approach is the block-localized wavefunction(BLW)method,which is a variant of the ab initio valence bond(VB)theory.Using this approach,it is possible to derive the geometries and energetics with resonance shut down.The other approach is Edmiston’s truncated localized molecular orbital(TLMO)technique,which monitors the energy changes by removing the delocalization tails from localized molecular orbitals.The integrated BLW and TLMO studies confirmed that the hydrogen bonding in these two molecules is indeed enhanced byπ-resonance,and that this enhancement is not a result ofσconstraints.
基金Project(2014CFB801)supported by Natural Science Foundation of Hubei Province of ChinaProject(11304236)supported by the National Natural Science Foundation of China
文摘Based on the empirical electronic theory of solids and molecules （EET）, the actual model for unit cell of cementite （0-FeaC） was built and the valence electron structures （VES） of cementite with specified site and a number of Fe atoms substituted by alloying atoms of M （ M=Cr, V, W, Mo, Mn ） were computed by statistical method. By defining P as the stability factor, the stability of alloyed cementite with different numbers and sites of Fe atoms substituted by M was calculated. Calculation results show that the density of lattice electrons, the symmetry of distribution of covalent electron pairs and bond energy have huge influence on the stability of alloyed cementite. It is more stable as M substitutes for FeE than for Fe1. The alloyed cementite is the most stable when Cr, Mo, W and V substitute for 2 atoms of Fe2 at the sites of Nos. 2 and 3 （or No. 6 and No. 7）. The stability of alloyed cementite decreases gradually as being substitutional doped by W, Cr, V, Mo and Mn.
文摘The electrical conductivity of Cu-Li alloys was studied. And the distribution of electrons near Fermi surface was detected by synchrotron radiation instrument. The results show that the electrical conductivity of Cu-Li alloys decreases from 5.22 X 10(-9) S/m to 3.69 X 10(-9) S/m with the increase of Li content. Li can decrease the oxygen, sulfur and other impurities content in commercial Cu, but Li dissolved in Cu lattice leads to distortion of Cu lattice from 0.005%-0.050%, affects the valence band of Cu, increases the binding energy of surface electron, and decreases the electron density of Fermi surface simultaneously. So the electrical conductivity decreases gradually with the increase of Li content.
文摘A series of Mo-S and W-S clusters has been synthesized and used as catalysts in thereductive reaction of azobenzene.The reaction conditions are mild and the yields are fairlyhigh.The reaction mechanism is discussed.
