Search results for "Keiji Morokuma"

Found 10 publication records. Showing 10 according to the selection in the facets

Hits ?▲	Authors	Title	Venue	Year	Link
1	Safwat Abdel-Azeim, Xin Li, Lung Wa Chung, Keiji Morokuma	Zinc-Homocysteine binding in cobalamin-dependent methionine synthase and its role in the substrate activation: DFT, ONIOM, and QM/MM molecular dynamics studies.	Journal of Computational Chemistry	2011	DBLP DOI BibTeX RDF
1	Dmitry V. Khoroshun, Djamaladdin G. Musaev, Keiji Morokuma	Electronic reorganization: Origin of sigma trans promotion effect.	Journal of Computational Chemistry	2007	DBLP DOI BibTeX RDF
1	Rajeev Prabhakar, Keiji Morokuma, Djamaladdin G. Musaev	A DFT study of the mechanism of Ni superoxide dismutase (NiSOD): Role of the active site cysteine-6 residue in the oxidative half-reaction.	Journal of Computational Chemistry	2006	DBLP DOI BibTeX RDF
1	Rajeev Prabhakar, Keiji Morokuma, Djamaladdin G. Musaev	A comparative study of various computational approaches in calculating the structure of pyridoxal 5r-phosphate (PLP)-dependent beta-lyase protein. The importance of protein environment.	Journal of Computational Chemistry	2005	DBLP DOI BibTeX RDF
1	Thom Vreven, Keiji Morokuma, Ödön Farkas, H. Bernhard Schlegel, Michael J. Frisch	Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints.	Journal of Computational Chemistry	2003	DBLP DOI BibTeX RDF
1	Maricel Torrent, Djamaladdin G. Musaev, Harold Basch, Keiji Morokuma	Computational studies of reaction mechanisms of methane monooxygenase and ribonucleotide reductase.	Journal of Computational Chemistry	2002	DBLP DOI BibTeX RDF
1	Keiji Morokuma, Djamaladdin G. Musaev, Thom Vreven, Harold Basch, Maricel Torrent, Dmitry V. Khoroshun	Model studies of the structures, reacitivities, and reaction mechanisms of metalloenzymes.	IBM Journal of Research and Development	2001	DBLP BibTeX RDF
1	Thom Vreven, Keiji Morokuma	On the application of the IMOMO (integrated molecular orbital + molecular orbital) method.	Journal of Computational Chemistry	2000	DBLP DOI BibTeX RDF
1	Feliu Maseras, Keiji Morokuma	IMOMM: A New Integrated Ab Initio + Molecular Mechanics Geometry Optimization Scheme of Equilibrium Structures and Transition States.	Journal of Computational Chemistry	1995	DBLP DOI BibTeX RDF
1	Y. Osamura, Shinichi Yamabe, F. Hirota, Haruo Hosoya, Sayaka Iwata, H. Kashiwagi, Keiji Morokuma, M. Togasi, Shigeru Obara	Quantum chemistry literature data base.	Journal of Chemical Information and Computer Sciences	1981	DBLP BibTeX RDF

Publications of "Keiji Morokuma" ( http://dblp.L3S.de/Authors/Keiji_Morokuma )