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Water model

Known as: Explicit solvation, Explicit water model, Simple point charge 
In computational chemistry, a water model is used to simulate and thermodynamically calculate water clusters, liquid water, and aqueous solutions… 
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Related topics

Related topics

28 relations
AbaloneAssisted Model Building with Energy Refinement (AMBER)Biochemical and Organic Simulation SystemCHARMM

Broader (1)

Computational chemistry

Papers overview

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Highly Cited
2011
Highly Cited
2011
Synthesis, structure studies and electrochemistry of molybdenum(VI) Schiff base complexes in the presence of different donor solvent molecules
Highly Cited
2004
Highly Cited
2004
Water sorption characteristics of two wood-plastic composites
This is the publisher’s final pdf. The published article is copyrighted by Forest Products Society and can be found at: http… 
Highly Cited
2004
Highly Cited
2004
Utilization of applied fertilizer nitrogen and irrigation water by drip-fertigated squash as determined by nuclear and traditional techniques
Field experiments were conducted to evaluate utilization of applied nitrogen (N) and irrigation water to squash in response to… 
Highly Cited
2003
Highly Cited
2003
The effect of pH on inactivation of pathogenic bacteria on fresh-cut lettuce by dipping treatment with electrolyzed water
: Fresh-cut lettuce samples inoculated with S. Typhimurium, E. coli O157:H7 or L. monocytogenes were dipped into 300 ppm… 
Highly Cited
1999
Highly Cited
1999
Effect of Basis Set Superposition Error on the Water Dimer Surface Calculated at Hartree-Fock, Møller-Plesset, and Density Functional Theory Levels
Counterpoise (CP) corrected optimizations of water dimer using the D95++(d,p) basis set at various levels of MP and DFT are… 
Highly Cited
1994
Highly Cited
1994
A force field for monosaccharides and (1 → 4) linked polysaccharides
A force field for monosaccharides that can be extended to (1 → 4) linked polysaccharides has been developed for the AMBER… 
Highly Cited
1992
Highly Cited
1992
Measurement of the ν8 intermolecular vibration of (D2O)2 by tunable far infrared laser spectroscopy
The first accurate measurement of an intermolecular vibration of the water dimer is reported. Five vibration–rotation‐tunneling… 
Highly Cited
1986
Highly Cited
1986
A regional acidic cloud/fog water event in the eastern United States
Cloud and fog water constitutes an important hydrological input to specific ecosystems1–3. Recently, questions have been raised… 
Highly Cited
1986
Highly Cited
1986
Effects of Water Stress and Degree of Ripeness on Rate of Senescence of Harvested Bell Pepper Fruit
The physiological changes occurring in green and red bell pepper fruit (Capsicum annuum L. ‘Maor’) before and after harvest were… 
Highly Cited
1978
Highly Cited
1978
Survival and Movement of Fecal Indicator Bacteria in Soil under Conditions of Saturated Flow 1
Antibiotic-resistant fecal bacteria were used to monitor the degree of movement and subsequent ground water contamination by… 
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