Keyphrases
Small Molecules
100%
Nuclear Quantum Effects
100%
Path Integral Simulation
100%
Path Integral
100%
Integral Calculation
100%
Gradient-based
100%
Quantum Mechanical Effects
66%
Isotope Effect
66%
Tunneling
33%
High-order
33%
Density Functional Theory
33%
Oxyanions
33%
Chemical System
33%
Symmetric Double Well Potential
33%
Path Integral Formulation
33%
Zero-point Energy
33%
Condensed Phase
33%
Water Molecule
33%
Alanine Racemase
33%
Efficient Computation
33%
Harmonic Oscillator
33%
Approximation Approach
33%
Factorization Method
33%
Feynman Path Integral
33%
Schiff Base
33%
Density Matrix
33%
High-order Factorization
33%
Path Efficiency
33%
Computational Cost
33%
Model Calculation
33%
Matrix Operator
33%
Pyridoxal 5′-phosphate
33%
Asymmetric Double Well Potential
33%
Classical Partition Function
33%
Keto-enol tautomerism
33%
New Isotope
33%
Equilibrium Isotope Effect
33%
Engineering
Model System
100%
Quantum Effect
100%
Corrector
100%
Energy Engineering
50%
Harmonics
50%
Chemical System
50%
Simple Model
50%
Discretization
50%
Computational Cost
50%
Partition Function
50%
Density Matrix
50%
Tunnel Construction
50%
Chemistry
Path Integral
100%
Isotope Effect
60%
Density Functional Theory
20%
Density Matrix
20%
Oxyanion
20%
Condensed Phase
20%
Harmonic Oscillator
20%
Double Well Potential
20%
Cofactor
20%
Schiff Base
20%
Partition Function
20%
Keto-Enol Tautomerism
20%
Alanine
20%
Zero Point Energy
20%
Pyridoxal
20%
Biochemistry, Genetics and Molecular Biology
Small Molecule
100%
Enzyme
100%
Tautomer
33%
Pyridoxal
33%
Enol
33%
Partition Coefficient
33%
Alanine Racemase
33%