60 entries under study topic. ×

2
computer simulation(noun, expression, form, science)
2
computer time(noun, expression, form, science)
2
cross section(noun, expression, form, science)
2
density functional method(noun, expression, treatment, science)
2
density functional theory(noun, expression, treatment, science)
2
dipole(noun, form, science, field)
2
drug design(noun, expression, treatment, science)
2
dynamic situation(noun, expression, form, science)
2
electronic calculation(noun, expression, treatment, science)
2
electronic charge density distribution(noun, expression, form, science)
2
empirical method(noun, expression, form, science)
2
empirical parameter(noun, expression, form, science)
2
first-principle equation(noun, expression, treatment, science)
2
interaction energy(noun, expression, form, science)
2
ion(noun, form, science, field)
2
many-body problem(noun, expression, form, science)
2
molecular dynamics(noun, expression, treatment, science)
2
molecular wave function(noun, expression, treatment, science)
2
molecule(noun, form, science, field)
2
multipole moment(noun, expression, form, science)
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APASmart Define. (-0001). computational chemistry thesaurus. Retrieved September 24, 2026, from https://smartdefine.org/computational_chemistry/thesaurus/narrower
ChicagoSmart Define. -0001. "computational chemistry thesaurus" https://smartdefine.org/computational_chemistry/thesaurus/narrower (accessed September 24, 2026).
HarvardSmart Define -0001, computational chemistry thesaurus, Smart Define, viewed 24 September, 2026, <https://smartdefine.org/computational_chemistry/thesaurus/narrower>.
MLASmart Define. "computational chemistry thesaurus" 30 November -0001. Web. 24 September 2026. <https://smartdefine.org/computational_chemistry/thesaurus/narrower>