| molecular mechanics(noun, expression, study, treatment, science) |
| quantum mechanics(noun, expression, form, study, treatment) |
| vibrational frequency(noun, expression, form, study, science) |
| Born-Oppenheimer approximation(noun, expression, study, treatment, science) |
| Dirac equation(noun, expression, study, treatment, science) |
| Lewis pair(noun, expression, study, treatment, science) |
| Schrodinger equation(noun, expression, study, treatment, science) |
| ab initio calculation(noun, expression, study, treatment, science) |
| ab initio method(noun, expression, form, study, science) |
| ab initio quantum chemistry method(noun, expression, form, study, science) |
| absolute energy(noun, expression, form, study, science) |
| catalysis(noun, study, treatment, science, knowledge) |
| chemical database(noun, expression, study, treatment, science) |
| chemical dynamics(noun, expression, study, treatment, science) |
| chemical phenomenon(noun, expression, form, study, science) |
| chemical problem(noun, expression, form, study, science) |
| chemical reaction(noun, expression, study, treatment, science) |
| computational chemistry method(noun, expression, form, study, science) |
| computational chemistry software package(noun, expression, study, treatment, science) |
| computer program(noun, expression, form, study, science) |