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Monte Carlo simulations of the hydration of ammonium and carboxylate ions
William L. Jorgensen,
Jiali Gao
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
327
Scopus citations
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Physics & Astronomy
carboxylates
100%
hydration
75%
water
40%
ions
33%
molecules
28%
simulation
27%
heat of solution
26%
solvation
19%
viability
19%
statistical mechanics
19%
hydrogen bonds
18%
molecular orbitals
17%
aqueous solutions
16%
computerized simulation
14%
Engineering & Materials Science
Hydration
77%
Ions
66%
Molecules
52%
Water
39%
Molecular orbitals
30%
Solvation
28%
Statistical mechanics
26%
Hydrogen bonds
24%
Set theory
11%
Computer simulation
9%
Testing
9%
Hot Temperature
8%
Chemical Compounds
Monte Carlo Method
76%
Statistical Mechanics
33%
Intermolecular Potential
31%
Simulation
30%
Ion
28%
Molecule
25%
Ab Initio Calculation
20%
Solvation
20%
Heat
17%
Hydrogen Bond
14%
Aqueous Solution
12%