Mechanisms and new designs for catalytic C1 activation and functionalization

William A. Goddard; Robert Nielsen; Mujeng Cheng; Ekaterina Tkatchouk; Patrick Theofanis

Mechanisms and new designs for catalytic C1 activation and functionalization

William A. Goddard
, Robert Nielsen
, Mujeng Cheng
, Ekaterina Tkatchouk
, Patrick Theofanis

Chemistry
California Institute of Technology

Research output: Contribution to journal › Conference article › peer-review

Abstract

Advances in theoretical and computational chemistry are making it practical to use first principles based predictions of the mechanisms for homogeneous catalytic processe. We will highlight some recent advances in methodology relevant to catalysis and will illustrate them with recent applications to organometallic catalysts for low temperature functionalization of methane.

Original language	English
Journal	ACS National Meeting Book of Abstracts
Publication status	Published - 1 Dec 2011
Externally published	Yes
Event	242nd ACS National Meeting and Exposition - Denver, CO, United States Duration: 28 Aug 2011 → 1 Sept 2011

Cite this

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title = "Mechanisms and new designs for catalytic C1 activation and functionalization",

abstract = "Advances in theoretical and computational chemistry are making it practical to use first principles based predictions of the mechanisms for homogeneous catalytic processe. We will highlight some recent advances in methodology relevant to catalysis and will illustrate them with recent applications to organometallic catalysts for low temperature functionalization of methane.",

author = "Goddard, \{William A.\} and Robert Nielsen and Mujeng Cheng and Ekaterina Tkatchouk and Patrick Theofanis",

year = "2011",

month = dec,

day = "1",

language = "English",

journal = "ACS National Meeting Book of Abstracts",

issn = "0065-7727",

publisher = "American Chemical Society",

note = "242nd ACS National Meeting and Exposition ; Conference date: 28-08-2011 Through 01-09-2011",

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TY - JOUR

T1 - Mechanisms and new designs for catalytic C1 activation and functionalization

AU - Goddard, William A.

AU - Nielsen, Robert

AU - Cheng, Mujeng

AU - Tkatchouk, Ekaterina

AU - Theofanis, Patrick

PY - 2011/12/1

Y1 - 2011/12/1

N2 - Advances in theoretical and computational chemistry are making it practical to use first principles based predictions of the mechanisms for homogeneous catalytic processe. We will highlight some recent advances in methodology relevant to catalysis and will illustrate them with recent applications to organometallic catalysts for low temperature functionalization of methane.

AB - Advances in theoretical and computational chemistry are making it practical to use first principles based predictions of the mechanisms for homogeneous catalytic processe. We will highlight some recent advances in methodology relevant to catalysis and will illustrate them with recent applications to organometallic catalysts for low temperature functionalization of methane.

M3 - Conference article

AN - SCOPUS:84861043517

SN - 0065-7727

JO - ACS National Meeting Book of Abstracts

JF - ACS National Meeting Book of Abstracts

T2 - 242nd ACS National Meeting and Exposition

Y2 - 28 August 2011 through 1 September 2011

ER -

Mechanisms and new designs for catalytic C1 activation and functionalization

Abstract

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