搜索结果: 1-9 共查到“物理化学 t-J model”相关记录9条 . 查询时间(0.235 秒)
A Solvatochromic Model Calibrates Nitriles' Vibrational Frequencies to Electrostatic Fields
Solvatochromic Model Calibrates Vibrational Frequencies Electrostatic Fields
2016/5/25
Electrostatic interactions provide a primary connection between a protein's three-dimensional structure and its function. Infrared probes are useful because vibrational frequencies of certain chemical...
Origins of the Sensitivity of Molecular Vibrations to Electric Fields:Carbonyl and Nitrosyl Stretches in Model Compounds and Proteins
phosphoenolpyruvate carboxylase thermostable limited proteolysis flexible loop main chain connectivity
2016/5/24
The vibrational Stark effect (VSE) is the effect of an electric field on the vibrational spectrum. Typically, the largest change induced by an electric field is the linear frequency shift whose sensit...
A continuum solvent model: the DISOLV program - algorithms, implementation, and validation
polarized continuum model conductor-like screening model solvent accessible surface triangulation non-polar interactions polar interactions
2011/8/2
Abstract: Several implicit (continuum) solvent models are considered: the Polarized Continuum Model (PCM), the Surface Generalized Born model (SGB), and the COnductor-like Screening model (COSMO) as w...
Specific features of the dielectric continuum solvation model with a position-dependent permittivity function
Position-dependent permittivity function implicit solvent models solvation free energy
2011/8/2
Abstract: We consider a modified formulation for the recently developed new approach in the continuum solvation theory (Basilevsky, M. V., Grigoriev, F. V., Nikitina, E. A., Leszczynski, J., J. Phys. ...
Optical properties of canopies of the tropical seagrass Thalassia testudinum estimated by a three-dimensional radiative transfer model
Optical properties of canopies tropical seagrass Thalassia testudinum three-dimensional radiative transfer model
2014/4/17
Three-dimensional models of seagrass canopies were constructed by treating leaves as flexible strips that fall under their own weight into naturalistic canopy structures. Canopy structures incorporate...
The Collins Model and the Eutectic-Type and the
Peritectic-Type Phase Diagrams
Lennard-Jones potential collins model binary eutectic-type phase
diagram peritectic-type phase diagram
2007/8/15
2003Vol.39No.6pp.745-748DOI:
The Collins Model and the Eutectic-Type and the
Peritectic-Type Phase Diagrams
XIE Chuan-Mei and CHEN Li-Rong
Department of Physics, Anhui N...
期刊信息
篇名
A mathematical model for the cycle life of hydride electrodes
语种
英文
撰写或编译
撰写
作者
152.Y.Q. Lei,C.S. Wang,X.G. Yang,H.G. Pan,J. Wu,Q.D.Wang
第一作者单位
刊物名称
J. Alloys Compds.
页面
231,611-615
出版日期
1995年...
期刊信息
篇名
ESPClust: An Effective Skew Prevention Method for Model- Based Document Clustering
语种
英文
撰写或编译
作者
Xiaoguang Li,Ge Yu,Daling Wang,Yubin Bao
第一作者单位
刊物名称
Lecture Notes in Computer Sciences.
页面
Vo...
期刊信息
篇名
A diffusion model for the fluids confined in micropores
语种
英文
撰写或编译
撰写
作者
Ying-Chun Liu,Qi Wang（王琦*）,Xiao-Feng Li
第一作者单位
浙江大学化学系
刊物名称
J. Chem. Phys.
页面
122(4), 044714-1～5
出版日期
2005年
月
日
文章标识(I...