| computer simulation(noun, expression, form, study, science) |
| computer time(noun, expression, form, study, science) |
| cross section(noun, expression, form, study, science) |
| density functional method(noun, expression, study, treatment, science) |
| density functional theory(noun, expression, study, treatment, science) |
| dipole(noun, form, study, science, field) |
| drug design(noun, expression, study, treatment, science) |
| dynamic situation(noun, expression, form, study, science) |
| electronic calculation(noun, expression, study, treatment, science) |
| electronic charge density distribution(noun, expression, form, study, science) |
| empirical method(noun, expression, form, study, science) |
| empirical parameter(noun, expression, form, study, science) |
| first-principle equation(noun, expression, study, treatment, science) |
| interaction energy(noun, expression, form, study, science) |
| ion(noun, form, study, science, field) |
| many-body problem(noun, expression, form, study, science) |
| molecular dynamics(noun, expression, study, treatment, science) |
| molecular wave function(noun, expression, study, treatment, science) |
| molecule(noun, form, study, science, field) |
| multipole moment(noun, expression, form, study, science) |