A study of synthesis gas conversion to methane and methanol over a Mo6P3 cluster using density functional theory

By Zaman Sharif   Smith Kevin  

Molecular Simulation, Vol. 34, Iss. 10-15, 2008-09 ,pp. : 1073-1084

Taylor & Francis Ltd

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The Lipoic Acid Analogue 1,2-Diselenolane-3-pentanoic Acid Protects Human Low Density Lipoprotein against Oxidative Modification Mediated by Copper Ion

By Matsugo S.   Yan L.J.   Konishi T.   Youn H.D.   Lodge J.K.   Ulrich H.   Packer L.  

Biochemical and Biophysical Research Communications, Vol. 240, Iss. 3, 1997-11 ,pp. : 819-824

Elsevier

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Density functional theory study of the adsorption of oxygen molecule on iron phthalocyanine and cobalt phthalocyanine

By Wang Guofeng   Ramesh Nitia   Hsu Andrew   Chu Deryn   Chen Rongrong  

Molecular Simulation, Vol. 34, Iss. 10-15, 2008-09 ,pp. : 1051-1056

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Semiempirical calculations on the electronic properties of finite-length models of carbon nanotubes based on Clar sextet theory

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Molecular Simulation, Vol. 34, Iss. 10-15, 2008-09 ,pp. : 905-908

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Spectroscopic investigation on glutamic acid by Coulomb-attenuating and double hybrid density functional theory methods

By Ramkumaar G.R.   Baby Shalini M.   Gunasekaran S.   Srinivasan S.  

Molecular Simulation, Vol. 41, Iss. 4, 2015-03 ,pp. : 333-344

Taylor & Francis Ltd

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