Keyphrases
DFT Study
100%
Phosphatidylethanolamine
100%
Glycine
100%
Schiff Base Formation
100%
Acetaldehyde
100%
N-butylamine
100%
Dehydration
40%
Schiff Base
40%
Amines
20%
Water Molecule
20%
Hydrogen Bond Network
20%
Relative Free Energy
20%
Rate-determining Step
20%
Intermediate State
20%
Reaction Intermediates
20%
Transition State
20%
Proton Transfer
20%
Surface Environment
20%
Catalyst Effect
20%
DMol3
20%
DFT Calculations
20%
Monolayer Model
20%
Periodic Boundary Conditions
20%
Phospholipid Monolayer
20%
Carboxylic Group
20%
Molecular Environment
20%
Carbonyl Group
20%
Amino Group
20%
Aqueous Solvent
20%
Aminophospholipids
20%
Nucleophilic Attack
20%
Carbinolamine
20%
Chemistry
Density Functional Theory
100%
Phosphatidylethanolamine
100%
Schiff Base
100%
Hydrogen Bonding
20%
Proton Transfer
20%
Rate-Determining Step
20%
Phospholipid
20%
Transition State
20%
Gibbs Free Energy
20%
Aqueous Solvent
20%
Amino Group
20%
Monolayer
20%
Periodic Boundary Condition
20%
Reaction Intermediate
20%
Aminophospholipid
20%
Carbonyl Group
20%
Pharmacology, Toxicology and Pharmaceutical Science
Phosphatidylethanolamine
100%
Schiff Base
100%
Butylamine
100%
Hydrogen Bond
20%
Phospholipid
20%
Carbonyl Derivative
20%
Aminophospholipid
20%
Biochemistry, Genetics and Molecular Biology
Phosphatidylethanolamine
100%
Surface Property
20%
Hydrogen Bond
20%
Proton Transport
20%
Phospholipid
20%
Periodic Boundary Conditions
20%
Nucleophilicity
20%