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MFCC-downhill simplex method for molecular structure optimization
X. H. Chen,
J. Z.H. Zhang
Chemistry
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Mathematics
Biopolymers
22%
Cap
69%
Complex Systems
15%
Computing
9%
Crystal Structure
20%
Energy
9%
Level Set
14%
Molecules
14%
Optimise
15%
Optimization
11%
Optimization Methods
15%
Potassium
22%
Protein
15%
Simplex Algorithm
19%
Simplex Method
73%
Structural Optimization
20%
Structure Optimization
100%
Physics & Astronomy
biopolymers
18%
caps
61%
cations
12%
complex systems
15%
crystal structure
11%
energy
4%
fractionation
71%
ions
6%
molecular structure
61%
molecules
7%
optimization
38%
potassium
14%
proteins
11%
Engineering & Materials Science
Biopolymers
20%
Crystal structure
18%
Fractionation
76%
Ions
13%
Large scale systems
12%
Molecular structure
75%
Molecules
14%
Positive ions
18%
Potassium
17%
Proteins
13%
Set theory
9%
Structural optimization
16%
Chemical Compounds
18-Crown-6
16%
Biopolymer
13%
Cation
8%
Coordination Sphere
14%
Crystal Structure
7%
Energy
6%
Fractionation
51%
Ion
5%
Molecular Structure
40%
Protein
6%