Keyphrases
1H nuclear Magnetic Resonance (1H NMR)
5%
Anions
20%
Arenes
10%
Benzocrown Ethers
5%
Binding Affinity
22%
Binding Behavior
7%
Buffer Solution
10%
Cation Species
10%
Chemical Warfare Agents
100%
Chemical Warfare Simulants
34%
Closest Match
6%
Colorimetric Response
5%
Complex Formation
10%
Complex Stoichiometry
10%
Computational Protocol
26%
Computational Simulation
5%
Computational Study
22%
Correlation Data
6%
Cyclodextrin
35%
Cyclosarin
11%
Derivative Constraints
5%
DFT Calculations
8%
DFT Computations
5%
DFT Study
20%
Diisopropyl Methylphosphonate
10%
Dimethyl Methylphosphonate
10%
Experimental Solution
10%
Fluoride
20%
G-base
6%
G-series
22%
Gas State
6%
Gas-phase Simulations
11%
Host-guest
10%
Hydrated State
6%
Hydrogen Bonding Interaction
20%
Hydrolysis
5%
Hydrophobic Effect
10%
Hydrophobically
6%
Inclusion Complex
30%
Inclusion Properties
20%
Induced Response
5%
Infrared Spectra
17%
Low Affinity
20%
Methylphosphonate
16%
Molecular Mechanics
10%
Nerve Agent Simulants
25%
Nerve Agents
5%
Nitrophenyl
10%
NMR Techniques
10%
Organophosphate
7%
Organophosphorus Nerve Agents
20%
Phenyl
5%
PM6 Calculation
10%
Preferential Binding
6%
Responsive Materials
6%
Sarin
27%
Semi-empirical Modeling
6%
Simulant
85%
Solution NMR
10%
Soman
66%
Species Account
10%
Spectroscopic Properties
20%
Tabun
6%
Thiourea
20%
Thiourea Derivatives
5%
Trialkyl Phosphates
6%
Urea
5%
Urea Complexation
20%
Urea Derivatives
15%
UV-visible Spectra
5%
Water-soluble
10%
Water-soluble Calixarenes
20%
Pharmacology, Toxicology and Pharmaceutical Science
Buffer
10%
Calixarene
20%
Chemical Warfare Agent
100%
Complexation
6%
Cyclodextrin
35%
Cyclosarin
11%
Ether Derivative
5%
Hydrophobic Effect
10%
Methylphosphonic Acid
36%
Molecular Mechanic
10%
Nerve Gas
30%
Phosphonate
7%
Polycyclic Aromatic Hydrocarbon
10%
Sarin
27%
Soman
66%
Tabun
6%
Thiourea
5%
Thiourea Derivative
5%
Urea Derivative
15%
Chemistry
Buffer Solution
10%
Calixarene
20%
Chemical Warfare Agent
80%
Complexation
6%
Cyclodextrin
35%
Density Functional Theory
20%
Density Functional Theory
8%
formation
20%
Hydrophobic Effect
10%
Infrared Radiation
17%
Kd
22%
Molecular Mechanic
10%
Nerve Agent
20%
Reaction Stoichiometry
10%
Solution NMR
10%
Soman
46%
Trialkyl Phosphate
6%
Water Soluble
20%