A theoretical study of the mechanisms of oxidation of ethylene by manganese oxo complexes

Dalton Transactions ◽

10.1039/c3dt51700d ◽

2013 ◽

Vol 42 (40) ◽

pp. 14411 ◽

Author(s):

Albert Aniagyei ◽

Richard Tia ◽

Evans Adei

Keyword(s):

Theoretical Study ◽

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Ethylene addition to group-6 transition metal oxo complexes – A theoretical study

Journal of Organometallic Chemistry ◽

10.1016/j.jorganchem.2007.12.008 ◽

2008 ◽

Vol 693 (4) ◽

pp. 737-749 ◽

Author(s):

Robin Haunschild ◽

Gernot Frenking

Keyword(s):

Transition Metal ◽

Theoretical Study ◽

Oxo Complexes ◽

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Combined Experimental and Theoretical Study on Aromatic Hydroxylation by Mononuclear Nonheme Iron(IV)−Oxo Complexes

Inorganic Chemistry ◽

10.1021/ic700462h ◽

2007 ◽

Vol 46 (11) ◽

pp. 4632-4641 ◽

Author(s):

Sam P. de Visser ◽

Kyungeun Oh ◽

Ah-Rim Han ◽

Wonwoo Nam

Keyword(s):

Theoretical Study ◽

Nonheme Iron ◽

Oxo Complexes ◽

Aromatic Hydroxylation

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Theoretical Study of the Oxidation of Alcohol to Aldehyde by d0Transition-Metal−Oxo Complexes: Combined Approach Based on Density Functional Theory and the Intrinsic Reaction Coordinate Method

Organometallics ◽

10.1021/om9606606 ◽

1997 ◽

Vol 16 (4) ◽

pp. 716-724 ◽

Author(s):

Liqun Deng ◽

Tom Ziegler

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Theoretical Study ◽

Reaction Coordinate ◽

Intrinsic Reaction Coordinate ◽

Combined Approach ◽

Functional Theory ◽

Coordinate Method ◽

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Theoretical Study of the Mechanism of Alkane Hydroxylation and Ethylene Epoxidation Reactions Catalyzed by Diiron Bis-oxo Complexes. The Effect of Substrate Molecules

Journal of the American Chemical Society ◽

10.1021/ja0176393 ◽

2002 ◽

Vol 124 (15) ◽

pp. 4135-4148 ◽

Author(s):

Djamaladdin G. Musaev ◽

Harold Basch ◽

Keiji Morokuma

Keyword(s):

Theoretical Study ◽

Ethylene Epoxidation ◽

Oxo Complexes ◽

Alkane Hydroxylation

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Theoretical study on kinetic isotope effects in the CH bond activation of alkanes by iron-oxo complexes

Coordination Chemistry Reviews ◽

10.1016/s0010-8545(01)00464-7 ◽

2002 ◽

Vol 226 (1-2) ◽

pp. 251-259 ◽

Author(s):

Kazunari Yoshizawa

Keyword(s):

Bond Activation ◽

Theoretical Study ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Oxo Complexes ◽

Kinetic Isotope

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The effect of cardiac output changes on end-expired volatile anaesthetic concentrations - a theoretical study

Anaesthesia ◽

10.1046/j.1365-2044.2001.02212.x ◽

2001 ◽

Vol 56 (11) ◽

pp. 1034-1040 ◽

Author(s):

R. R. Kennedy ◽

A. B. Baker

Keyword(s):

Cardiac Output ◽

Theoretical Study ◽

Volatile Anaesthetic

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Theoretical study of ground and excited state potential energy surfaces for the Ca + -H 2 complex

Molecular Physics ◽

10.1080/002689700162414 ◽

2000 ◽

Vol 98 (7) ◽

pp. 419-427 ◽

Author(s):

E. Czuchaj, M. Krosnicki, H. Stoll

Keyword(s):

Excited State ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

State Potential ◽

Energy Surfaces

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RESEARCH NOTE Theoretical study of the CH3 + NS and related reactions: mechanism of HCN formation

Molecular Physics ◽

10.1080/002689799164261 ◽

1999 ◽

Vol 96 (12) ◽

pp. 1817-1822

Author(s):

TRUNG NGOC LE, LOC THANH NGUYEN, MINH THO

Keyword(s):

Theoretical Study ◽

Research Note ◽

Reactions Mechanism

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Molecular Ordering of a Nematogen at Phase Transition Temperature - A Theoretical Study

Phase Transitions ◽

10.1080/01411590290008352a ◽

2002 ◽

Vol 75 (4-5) ◽

pp. 413-421

Author(s):

Durga Prasad Ojha ◽

Devesh Kumar ◽

V.G.K.M. Pisipati

Keyword(s):

Phase Transition ◽

Transition Temperature ◽

Phase Transition Temperature ◽

Theoretical Study ◽

Molecular Ordering

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Theoretical study of C60O2 molecular properties

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04855-5 ◽

1997 ◽

Vol 392 (1) ◽

pp. 217-221 ◽

Author(s):

S Zhenfeng

Keyword(s):

Theoretical Study ◽

Molecular Properties

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