검색결과 : 4건
| No. | Article |
|---|---|
| 1 |
Comparison of Effective Exchange Integrals of H-H and H-He-H Chains vs. Single Molecules: A Theoretical Study Tada K, Kawakami T, Kitagawa Y, Okumura M, Yamaguchi K, Tanaka S Chemistry Letters, 49(2), 137, 2020 |
| 2 |
Estimation of spin contamination error in dissociative adsorption of Au-2 onto MgO(001) surface: First application of approximate spin projection (AP) method to plane wave basis Tada K, Koga H, Okumura M, Tanaka S Chemical Physics Letters, 701, 103, 2018 |
| 3 |
Can Unrestricted Density-Functional Theory Describe Open Shell Singlet Biradicals? Grafenstein J, Kraka E, Filatov M, Cremer D International Journal of Molecular Sciences, 3(4), 360, 2002 |
| 4 |
Systematic errors in ab initio bond dissociation energies Irikura KK Journal of Physical Chemistry A, 102(45), 9031, 1998 |