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46篇 您的检索式：作者名="Morokuma K"

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	题名	作者	年代	出处	被引量
1	The intrinsic reaction coordinate: An ab initio calculation for HNC ---HCN and H-+ CHt---CH4+ H-* 显示文摘	Ishida K Morokuma K Komornicki A	1977	The Jour- hal of Chemical Physics1977，66，5：	1
2	Mechanism of the methane → methanol conversion reaction catalyzed by methane monooxygenase: a density functional study 显示文摘	Basch H Mogi K Musaev D G Morokuma K	1999	J Am Chem Soc1999，121，：	1
3	Neutropenia in-duced in a patient by treatment with ritodrine : in vitro evaluationof myeloid progenitor colony-forming cells 显示文摘	Tsukimori K Morokuma S Yoshimura T	2008	Br J ClinPharmacol2008，65，1：	1
4	Cooperative pull and push effects on the O-O bond cleavage in acylperoxo complexes of :ensuring formation of manganese(Ⅴ)oxo species显示文摘	KHAVRUTSKII I V MUSAEV D G MOROKUMA K	2005	Inorg Chem2005，24，：	1
5	Theoretical study of the mechanism of alkane hydroxylation and ethylene epoxidation reactions catalyzed by diiron bis-oxo complexes the effect of substrate molecule 显示文摘	Musaev D G Basch H Morokuma K	2001	J Am Chem Soc2001，123，：	1
6	IMOMO-G2MS Approaches to Accurate Calculations of Bond Dissociation Energies of Large Molecules显示文摘	Froese R D J Morokuma K	1999	J Phys Chem A1999，103，23：	1
7	查看详情显示文摘	Ishida K Morokuma K Komornicki A 2153. A		0，，：	1
8	Elucidation of the mechanism of selenoprotein gtutathione peroxidase (GPx)-catalyzed hydrogen peroxide reduction by two glutathione molecules : a density functional study 显示文摘	Prabhakar R Vreven T Morokuma K	2005	Biochemistry2005，44，11：	1
9	Theoretical study of the gas-phase structure, thermochemistry, and decomposition mechanisms of NH4NO2 and NH4N(NO2 )2 显示文摘	Mebel A M Lin M C Morokuma K Melius C F	1995	Journal of Physical Chemistry1995，99，17：	1
10	Short-term andlong-term outcomes of 214 cases of non-immune hydropsfetalis显示文摘	Fukushima K Morokuma S Fujita Y	2011	Early Hum Dev2011，87，8：	1
11	Mechanism of the divanadium-substituted polyoxotungstate 4- catalyzed olefin epoxidation by H2O2: acomputational study 显示文摘	Kuznetsov A E Geletii Y V Hill C L Morokuma K Musaev D G	2009	Inorganic Chemistry2009，48，5：	1
12	Coexistence of Neutral and Ion - Pair Ousters of Hydrated Sulfuric Acid H2SO4 (H2O) n ( n = 1 - 5) - A Molecular Orbital Study显示文摘	Re S Osamura Y Morokuma K	1999	Journal of Physical Chemistry A1999，103，18：	1
13	Ab initio molecular orbitalstudy of the mechanism of the gas phase reaction S03+ H2O:importance of the second water molecule显示文摘	Morokuma K Muguruma C	1994	JAm Chem Soc1994，116，10：	1
14	The Origin of Hydrogen Bonding: An energy decomposition study显示文摘	Morokuma K	1977	J Am Chem Soc1977，99，：	1
15	Combined quantum mechanics and molecular mechanics simulation of Ca^2+/ammonia solution based on the ONIOM-XS method: Octahedral coordination and implication to biology显示文摘	Kerdcharoen T Morokuma K	2003	J Chem Phys2003，118，：	1
16	Free radicals with large negative spin densities显示文摘	Davis M S Morokuma K Kreilick R W	1972	J Am Chem Soc1972，94，：	1
17	The instrinsic re- action coordinate 显示文摘	ISHIDA K MOROKUMA K KOMORNICKI A	1981	Journal of Chemistry Physics1981，66，：	1
18	Updated branching plane for finding conical intersections without coupling derivative vectors显示文摘	MAEDA S OHNO K MOROKUMA K	2010	Journal of Chemical Theory & Computation2010，6，5：	1
19	Elucidation of the mechanism of selenoprotein glutathione peroxidase (gpx) catalyzed hydrogen peroxide reduction by two gluta- thione molecules : a density functional study 显示文摘	Prabhakar R Vreven T Morokuma K	2005	Biochem- /siry2005，44，11：	1
20	Accurate calculations of bond-breaking energies in C60 using the three-layered ONIOM method显示文摘	FROESE R D J MOROKUMA K	1999	ChemPhys Lett1999，305，5：	1

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