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Theoretical study of O 2 adsorption on GaN surfaces

By Nai-Xia L., Jun-Qian L., Yi-Jun X., Wen-Kai C., Yong-Fan Z. in (2004)

Elsevier

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Quantum chemical study of the Si-C bond photodissociation in benzylsilane derivatives: a specific 'excited-state' silicon effect

By Budyka M.F., Zyubina T.S., Zarkadis A.K. in (2004)

Elsevier

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Theoretical study of the structure, stability and vibrational spectrum of the hydrogen-bonded nitric acid trimer

By Dimitrova Y. in (2004)

Elsevier

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Quantum chemical study on enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine. Part 5. The reduction process in which oxime is reduced first and carbonyl is reduced through a four-membered ring and a seven-membered ring intermediates

By Zheng W., Li M., Tian A. in (2004)

Elsevier

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A new method for ranking Tacrine derivatives binding affinities with Acetylcholinesterase via finite difference thermodynamic integration

By Han D., Yang P. in (2004)

Elsevier

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Molecular interaction modeling of Ser-His dipeptide and buffers

By Sun M., Chen J., Liu X.H., Zhao Y.F. in (2004)

Elsevier

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Isotope effects in ethylene-HX complexes (X=F, Cl or Br)

By McDowell S.A.C. in (2004)

Elsevier

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Theoretical Studies on the Reactions between 1,3-dichrolo-1, 3-diphenyl-2-Azoniaallene Cation and 2-methyl-1-propene

By Yang S.-Y., Sun C.-K., Fang D.-C. in (2004)

Elsevier

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How a repulsive charge distribution becomes attractive and stabilized by a polarizable protein dielectric

By Kundu S., Gupta-Bhaya P. in (2004)

Elsevier

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Accurate ab initio calculations on the rate constants of the hydrogen abstraction reaction C 2 H 3 +H 2 ->H+C 2 H 4

By Li Q.S., Lu R.H., Wang C.Y. in (2004)

Elsevier

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