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Natural SciencesChemistryPhysicsComputational ChemistryPhysical ChemistryQuantum ChemistryComputational Quantum MechanicsDensity Functional TheoryMolecular Orbital TheoryMolecular Quantum MechanicsMolecular VibrationVibrational StructureMonte Carlo SamplingQuantum Monte Carlo AlgorithmsVibrational Density Of StatesVibrational Excited StatesVibrational Quantum States
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Computer Simulation of Liquids
S. P, K. J · Journal of Molecular Liquids · 1988 · 15.9K citations
N. Metropolis, Stanislaw M. Ulam · Journal of the American Statistical Association · 1949 · 6.1K citations
Diatomic Molecules According to the Wave Mechanics. II. Vibrational Levels
Philip Μ. Morse · Physical Review · 1929 · 4.1K citations
Natural Sciences, Chemistry, Physics +15
Infrared and Raman Spectra of Polyatomic Molecules.
G. Herzberg, Bryce Crawford · The Journal of Physical Chemistry · 1946 · 3.3K citations
Natural Sciences, Chemistry, Physics +16