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Monte Carlo methods in chemical physics
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Libro
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Monte Carlo methods in chemical physics

David M Ferguson; J. Ilja Siepmann; Donald G. Truhlar 1944-

New York : J. Wiley ; c1999

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2
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Articolo
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Cerium Metal–Organic Framework for Photocatalysis

Wu, Xin-Ping ; Gagliardi, Laura ; Truhlar, Donald G ; Univ. of Minnesota, Minneapolis, Mn (United States) (Corporate Author)

Journal of the American Chemical Society, 24 May 2018, Vol.140(25) [Rivista Peer Reviewed]

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3
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Articolo
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Hyper Open-Shell States: The Lowest Excited Spin States of O Atom, Fe 2+ Ion, and FeF 2

Varga, Zoltan ; Verma, Pragya ; Truhlar, Donald G ; Univ. of Minnesota, Minneapolis, Mn (United States) (Corporate Author)

Journal of the American Chemical Society, 30 August 2017, Vol.139(36) [Rivista Peer Reviewed]

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4
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Kinetics of the Methanol Reaction with OH at Interstellar, Atmospheric, and Combustion Temperatures

Gao, Lu Gem ; Zheng, Jingjing ; Fernández-Ramos, Antonio ; Truhlar, Donald G ; Xu, Xuefei ; Univ. of New Mexico, Albuquerque, Nm (United States) (Corporate Author)

Journal of the American Chemical Society, 13 February 2018, Vol.140(8) [Rivista Peer Reviewed]

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5
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Beyond the Active Site: Tuning the Activity and Selectivity of a Metal–Organic Framework-Supported Ni Catalyst for Ethylene Dimerization

Liu, Jian ; Ye, Jingyun ; Li, Zhanyong ; Otake, Ken-Ichi ; Liao, Yijun ; Peters, Aaron W ; Noh, Hyunho ; Truhlar, Donald G ; Gagliardi, Laura ; Cramer, Christopher J ; Farha, Omar K ; Hupp, Joseph T ; Univ. of Minnesota, Minneapolis, Mn (United States) (Corporate Author) ; Argonne National Lab. (Anl), Argonne, Il (United States) (Corporate Author)

Journal of the American Chemical Society, 16 August 2018, Vol.140(36) [Rivista Peer Reviewed]

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6
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Atmospheric Chemistry of Criegee Intermediates: Unimolecular Reactions and Reactions with Water

Long, Bo ; Bao, Junwei Lucas ; Truhlar, Donald G ; Univ. of New Mexico, Albuquerque, Nm (United States) (Corporate Author)

Journal of the American Chemical Society, 19 October 2016, Vol.138(43) [Rivista Peer Reviewed]

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7
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Doubly Excited Character or Static Correlation of the Reference State in the Controversial 21Ag State of trans-Butadiene?.(Report)

Shu, Yinan ; Truhlar, Donald G.

Journal of the American Chemical Society, Oct 4, 2017, Vol.139(39), pp.13770-13778 [Rivista Peer Reviewed]

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8
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Degradation of Carbonyl Hydroperoxides in the Atmosphere and in Combustion

Xing, Lili ; Bao, Junwei Lucas ; Wang, Zhandong ; Zhang, Feng ; Truhlar, Donald G ; Univ. of New Mexico, Albuquerque, Nm (United States) (Corporate Author)

Journal of the American Chemical Society, 24 October 2017, Vol.139(44) [Rivista Peer Reviewed]

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9
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Kinetics of the Hydrogen Abstraction Reaction From 2-Butanol by OH Radical

Zheng, Jingjing ; Oyedepo, Gbenga A ; Truhlar, Donald G ; Energy Frontier Research Centers (Efrc) (United States). Combustion Energy Frontier Research Center (Cefrc) (Corporate Author)

Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, 17 December 2015, Vol.119(50) [Rivista Peer Reviewed]

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10
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Combining Wave Function Methods with Density Functional Theory for Excited States

Ghosh, Soumen ; Verma, Pragya ; Cramer, Christopher J ; Gagliardi, Laura ; Truhlar, Donald G ; Univ. of Minnesota, Minneapolis, Mn (United States) (Corporate Author)

Chemical Reviews, 17 April 2018, Vol.118(15) [Rivista Peer Reviewed]

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da questo autore/creatore:

  1. Truhlar, Donald G.
  2. Truhlar, D.G.
  3. Truhlar, DG
  4. Truhlar, Donald
  5. Cramer, Christopher J.

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