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