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科研机构
北京大学 [26]
内容类型
期刊论文 [23]
其他 [3]
发表日期
2017 [4]
2016 [2]
2015 [9]
2014 [1]
2013 [3]
2012 [3]
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专题:北京大学
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Randomized algorithms for high quality treatment planning in volumetric modulated arc therapy
其他
2017-01-01
Yang, Yu
;
Dong, Bin
;
Wen, Zaiwen
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2017/12/03
volumetric modulated arc therapy
greedy algorithm
gradient projection
random sampling
importance sampling
GRADIENT METHODS
IMRT
OPTIMIZATION
Polarization Effects on the Cellulose Dissolution in Ionic Liquids: Molecular Dynamics Simulations with Polarization Model and Integrated Tempering Enhanced Sampling Method
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2017
Kan, Zigui
;
Zhu, Qang
;
Yang, Lijiang
;
Huang, Zhixiong
;
Jin, Biaobing
;
Ma, Jing
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
1,3-DIMETHYLIMIDAZOLIUM CHLORIDE
GLUCOSE SOLVATION
FORCE-FIELDS
SOLVENTS
WATER
NMR
DEFINITION
POLAR
Spatial change of reservoir nitrite-dependent methane-oxidizing microorganisms
期刊论文
ANNALS OF MICROBIOLOGY, 2017
Long, Yan
;
Guo, Qingwei
;
Li, Ningning
;
Li, Bingxin
;
Tong, Tianli
;
Xie, Shuguang
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
Freshwater
Methane oxidation
Reservoir
Sediment
FRESH-WATER WETLAND
16S RIBOSOMAL-RNA
METHANOTROPHIC BACTERIA
LAKE BIWA
SEDIMENTS
OXIDATION
DIVERSITY
COMMUNITIES
CONSTANCE
ABUNDANCE
重庆市主城区大气细颗粒物污染特征与来源解析
期刊论文
环境科学学报, 2017
陈源
;
谢绍东
;
罗彬
;
翟崇治
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2017/12/03
细颗粒物(PM2.5)
化学组成
来源解析
重庆
fine particle (PM2.5)
chemical composition
source apportionment
Chongqing
Efficient sampling over rough energy landscapes with high barriers: A combination of metadynamics with integrated tempering sampling
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016
Yang, Y. Isaac
;
Zhang, Jun
;
Che, Xing
;
Yang, Lijiang
;
Gao, Yi Qin
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
U-SHAPED TEMPLATE
CONFORMATIONAL-ANALYSIS
CHEMICAL-REACTIONS
GAS-PHASE
BRADYKININ
STATES
THERMODYNAMICS
EQUILIBRIUM
ACTIVATION
COMPLEXES
Simulation Studies of Protein and Small Molecule Interactions and Reaction
期刊论文
COMPUTATIONAL APPROACHES FOR STUDYING ENZYME MECHANISM, PT B, 2016
Yang, L.
;
Zhang, J.
;
Che, X.
;
Gao, Y. Q.
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/04
Conformational change,Enhanced sampling,Enzymatic reaction,Ligand binding,Ligand transportation,Molecular simulation
CARBAMOYL-PHOSPHATE SYNTHETASE
SYNTHASE/CARBON MONOXIDE DEHYDROGENASE
DEPENDENT NAD(+) SYNTHETASE
HISTOGRAM ANALYSIS METHOD
FREE-ENERGY CALCULATIONS
ESCHERICHIA-COLI
DYNAMICS SIMULATIONS
TRYPTOPHAN SYNTHASE
AMMONIA CHANNEL
ACTIVE-SITE
Visible-light-driven inactivation of Escherichia coli K-12 over thermal treated natural pyrrhotite
期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2015
Xia, Dehua
;
Li, Yan
;
Huang, Guocheng
;
Fong, Chi Ching
;
An, Taicheng
;
Li, Guiying
;
Yip, Ho Yin
;
Zhao, Hunjun
;
Lu, Anhuai
;
Wong, Po Keung
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2017/12/03
Natural pyrrhotite
Bacterial inactivation
Annealing
Mineral photocatalyst
MAGNETIC-PROPERTIES
PHOTOCATALYTIC INACTIVATION
BACTERIAL INACTIVATION
MESOPOROUS TIO2
HEAT-TREATMENT
THIN-FILMS
PYRITE
SPHALERITE
IRON
DEGRADATION
Dynamics and Kinetics Study of "In-Water" Chemical Reactions by Enhanced Sampling of Reactive Trajectories
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2015
Zhang, Jun
;
Yang, Y. Isaac
;
Yang, Lijiang
;
Gao, Yi Qin
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
FUNCTIONAL TIGHT-BINDING
ALLYL VINYL ETHER
ALIPHATIC CLAISEN REARRANGEMENT
ORGANIC-REACTIONS
TRANSITION-STATE
STEREOCHEMICAL CONTROL
RARE EVENTS
SIMULATIONS
SOLVENT
ACCELERATION
From Thermodynamics to Kinetics: Enhanced Sampling of Rare Events
期刊论文
ACCOUNTS OF CHEMICAL RESEARCH, 2015
Yang, Lijiang
;
Liu, Cheng-Wen
;
Shao, Qiang
;
Zhang, Jun
;
Gao, Yi Qin
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
ACCELERATED MOLECULAR-DYNAMICS
HYBRID DENSITY FUNCTIONALS
ION MOBILITY SPECTROMETRY
HELIX BUNDLE PROTEINS
BETA-HAIRPIN PEPTIDE
DISPERSION CORRECTIONS
POTENTIAL-ENERGY
REPLICA-EXCHANGE
COMPLEX-SYSTEMS
WATER CLUSTERS
Ab initio molecular dynamics with enhanced sampling for surface reaction kinetics at finite temperatures: CH2 reversible arrow CH + H on Ni(111) as a case study
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015
Sun, Geng
;
Jiang, Hong
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2017/12/03
DENSITY-FUNCTIONAL THEORY
FINDING SADDLE-POINTS
ADSORBED MOLECULES
1ST PRINCIPLES
FREE-ENERGIES
ADSORPTION
ENTROPIES
THERMODYNAMICS
APPROXIMATION
CHEMISTRY
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