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SCALING: 作品数：634被引量：804H指数：11; 导出分析报告; 相关领域：理学更多>>; 相关作者：程昆朋张元良陈慧刘卫国胡云卿更多>>; 相关机构：天津大学中国科学院大学中国科学院同济大学更多>>; 相关期刊：更多>>; 相关基金：国家自然科学基金国家重点基础研究发展计划国家高技术研究发展计划中国博士后科学基金更多>>

Asphaltene precipitation modeling through ACE reaping of scaling equations: 《Science China Chemistry》2014年第12期1774-1780,共7页GHOLAMI Amin MORADI Siyamak ASOODEH Mojtaba BAGHERIPOUR Parisa VAEZZADEH-ASADI Mohsen; Precipitation and deposition of asphaltene have undesirable effects on the petroleum industry by increasing operational costs due to reduction of well productivity as well as catalyst poisoning.Herein we propose a rel...; 关键词：asphaltene precipitation crude oil alternating conditional expectation scaling equation prediction

Linear-scaling computation of excited states in time-domain被引量：1: 《Science China Chemistry》2014年第1期70-77,共8页YAM ChiYung CHEN GuanHua; the Hong Kong Research Grant Council(HKU7009/09P,7008/11P,and HKUST9/CRF/08);the Hong Kong University Grant Coun-cil(AoE/P-04/08); the National Natural Science Foundation of China(21273186)for support; The applicability of quantum mechanical methods is severely limited by their poor scaling.To circumvent the problem,linearscaling methods for quantum mechanical calculations had been developed.The physical basis of li...; 关键词：linear-scaling methods quantum chemistry time-domain density matrix

Cluster-in-molecule local correlation method for large systems被引量：1: 《Science China Chemistry》2014年第1期78-86,共9页LI Wei LI ShuHua; supported by the National Natural Science Foundation of China(21073086,21103086,and 21333004);the Research Fund of the Doctoral Program of Higher Education of China(20110091120010);the National Basic Research Program of China(2011CB808501); A linear scaling local correlation method,cluster-in-molecule(CIM)method,was developed in the last decade for large systems.The basic idea of the CIM method is that the electron correlation energy of a large system,wi...; 关键词：Cluster-in-molecule linear scaling local correlation M ller-Plesset PERTURBATION theory coupled CLUSTER

Theoretical study of low-lying excited states of molecular aggregates. I. Development of linear-scaling TD-DFT被引量：2: 《Science China Chemistry》2013年第9期1263-1266,共4页LIU WenJian MA Jing; the National Natural Science Foundation of China (21290192); The project aims to develop an integrated linear-scaling time-dependent density functional theory (TD-DFT) for studying low-lying excited states of luminescent molecular materials, especially those fluorescence and ph...; 关键词：linear-scaling TD-DFT from fragments to molecule spin-orbit coupling renormalized excitions fragment-based solvent model luminsescent molecular material

Statistical theory for hydrogen bonding fluid system of A_aD_d type(II):Properties of hydrogen bonding networks: 《Science China Chemistry》2007年第1期11-17,共7页WANG HaiJun HONG XiaoZhong GU Fang BA XinWu; the National Natural Science Foundation of China(Grant Nos.20303006 and 20574016);the Natural Science Foundation of Hebei Province(GrantNos.B2006000959 and B2004000093);the Natural Science Foundation of Edu-cation Committee of Hebei Province(Grant No.2003101); Making use of the invariant property of the equilibrium size distribution of the hydrogen bonding clus- ters formed in hydrogen bonding system of AaDd type,the analytical expressions of the free energy in pregel and p...; 关键词：hydrogen BONDING network GEL phase SCALING LAW

Reaction dynamics and statistical theory for the growth of hydrogen bonding clusters被引量：1: 《Science China Chemistry》2002年第2期113-121,共9页王海军巴信武赵敏; This work was supported by the National Natural Science Foundation of China (Grant No. 20174008); Natural Science Foundation of Hebei Province (Grant Nos. 201072 and 298126) ; Ph. D Fund of Hebei Province.; The similarities between the formation of hydrogen bonds and polycondensation reactions are stated from the statistical viewpoint, and then taking the hydrogen bonding system of AaDd type as an example, the growing pr...; 关键词：hydrogen BONDING cluster reaction dynamics SOL-GEL phase transition SCALING law.

Combinational simulations of free energy of polymer solution: 《Science China Chemistry》1996年第1期45-52,共8页赵得禄杨小震贺子如黄昀; Project supported by the National Key Project for Fundamental Research 'Macromolecular Condensed State', the State Science;Technology Commission of China.; It is conceptually proposed that the total entropy of polymer solution is contributed from two distinct parts: the positional and the oomformational. The former can be represented analytically, while the latter can be...; 关键词：MONTE Carlo simulation polymer solution conformational ENTROPY MIXING heat SCALING law.

The Characteristics of Information Dimension: 《Science China Chemistry》1993年第7期863-871,共9页安镇文姚栋华陈颙; This project is supported by the Chinese Joint Seismological Science Foundation. No. 92A0053, Institute of Geophysics, State Seismological Bureau, Beijing, China.; Based on the information theory and multifractals viewpoint, the information dimension D_1 of acoustic emission (AE) of rock for marble, gabbro and sandstone in a laboratory condition and seismic activities before and...; 关键词：ACOUSTIC emission(AE) SEISMIC activity SCALING information DIMENSION CRITICAL behavior.

INELASTIC SCATTERING FORMULATION OF QUANTUM REACTIVE SCATTERING: 《Science China Chemistry》1991年第4期394-402,共9页邓从豪丁世良; Project supported by the National Natural Science Foundation of China.; The interatomic distances are used as coordinates for atom-diatom quantum reactivescattering. After mass scaling, coordinate rotation and transforming into hypersphericalcoordinates, the equation for quantum reactive ...; 关键词：atom-diatom quantum REACTIVE SCATTERING mass SCALING

ON THE POLYCONDENSATION REACTION WITH MONOMER OF A_aB_b TYPE (Ⅲ)——THE SCALING STUDY: 《Science China Chemistry》1989年第9期1055-1062,共8页唐敖庆李泽生孙家钟汤心颐; the National Natural Science Foundation of China.; For the polycondensation reaction with monomer of A_aB_b type, the scaling problem asso-ciated with sol-gel transition is investigated to obtain an asymptotic form of the equilibriumnumber fraction distribution of n-m...; 关键词：POLYCONDENSATION SOL-GEL TRANSITION SCALING LAW

SCALING