검색결과 : 3건
| No. | Article |
|---|---|
| 1 |
Calculation of the ionization potentials and electron affinities of bacteriochlorophyll and bacteriopheophytin via ab initio quantum chemistry Crystal J, Friesner RA Journal of Physical Chemistry A, 104(11), 2362, 2000 |
| 2 |
Incorporating protein environments in density functional theory : A self-consistent reaction field calculation of redox potentials of [2Fe2S] clusters in ferredoxin and phthalate dioxygenase reductase Li J, Nelson MR, Peng CY, Bashford D, Noodleman L Journal of Physical Chemistry A, 102(31), 6311, 1998 |
| 3 |
XSOL, a combined integral equation (XRISM) and quantum mechanical solvation model: Free energies of hydration and applications to solvent effects on organic equilibria Shao L, Yu HA, Gao JL Journal of Physical Chemistry A, 102(50), 10366, 1998 |