화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Mapping Interaction Energies in Chorismate Mutase with the Fragment Molecular Orbital Method
Pruitt SR, Steinmann C
Journal of Physical Chemistry A, 121(8), 1798, 2017
2 Polarizable Density Embedding: A New QM/QM/MM-Based Computational Strategy
Olsen JMH, Steinmann C, Ruud K, Kongsted J
Journal of Physical Chemistry A, 119(21), 5344, 2015
3 Polarizable Density Embedding: A New QM/QM/MM-based Computational Strategy (vol 119, pg 5344, 2015)
Olsen JMH, Steinmann C, Ruud K, Kongsted J
Journal of Physical Chemistry A, 119(26), 6928, 2015
4 Effective Fragment Molecular Orbital Method: A Merger of the Effective Fragment Potential and Fragment Molecular Orbital Methods
Steinmann C, Fedorov DG, Jensen JH
Journal of Physical Chemistry A, 114(33), 8705, 2010