Journal of Molecular Structure: THEOCHEM,volume 635,issue 1  (09-2004)

Period of time： 2004年1期

Publisher： Elsevier

Founded in： 1981

Total resources： 4

ISSN： 0166-1280

Subject： O Mathematical Sciences and Chemical

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Journal of Molecular Structure: THEOCHEM,volume 635,issue 1

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A theoretical study of the photo-oxidation of a fluorene-based two-photon chromophore

By Guo J.-D., Luo Y. in (2003)

Journal of Molecular Structure: THEOCHEM,volume 635,issue 1 , Vol. 635, Iss. 1, 2003-09 , pp. 1-9

Elsevier

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Vibrational frequencies and structural determinations of Pb 6 O(OH) 6 4+

By Jensen J.O. in (2003)

Journal of Molecular Structure: THEOCHEM,volume 635,issue 1 , Vol. 635, Iss. 1, 2003-09 , pp. 11-24

Elsevier

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A density functional investigation of AgSi n (n=1-5) clusters

By Zhang P.-F., Han J.-G., Pu Q.-R. in (2003)

Journal of Molecular Structure: THEOCHEM,volume 635,issue 1 , Vol. 635, Iss. 1, 2003-09 , pp. 25-35

Elsevier

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Docking and biological activity of pteridine analogs: search for inhibitors of pteridine reductase enzymes from Trypanosoma cruzi

By Schormann N., Senkovich O., Ananthan S., Chattopadhyay D. in (2003)

Journal of Molecular Structure: THEOCHEM,volume 635,issue 1 , Vol. 635, Iss. 1, 2003-09 , pp. 37-44

Elsevier

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Molecular characterization of retene derivatives obtained by thermal treatment of abietane skeleton diterpenoids

By Carpy A., Marchand-Geneste N. in (2003)

Journal of Molecular Structure: THEOCHEM,volume 635,issue 1 , Vol. 635, Iss. 1, 2003-09 , pp. 45-53

Elsevier

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Theoretical study of the thermal degradation pathways of abietane skeleton diterpenoids: aromatization to retene

By Marchand-Geneste N., Carpy A. in (2003)

Journal of Molecular Structure: THEOCHEM,volume 635,issue 1 , Vol. 635, Iss. 1, 2003-09 , pp. 55-82

Elsevier

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Effect of fluorine substitution on the rate for ester hydrolysis: estimation of the hydrolysis rate of perfluoroalkyl esters

By Uchimaru T., Kutsuna S., Chandra A.K., Sugie M., Sekiya A. in (2003)

Journal of Molecular Structure: THEOCHEM,volume 635,issue 1 , Vol. 635, Iss. 1, 2003-09 , pp. 83-89

Elsevier

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A proposal of the source and the evolution of the bubble in the glass melts. Molecular orbital and molecular dynamics studies

By Matsubara T., Hirao K., Nitta H., Nishikawa N., Koike H. in (2003)

Journal of Molecular Structure: THEOCHEM,volume 635,issue 1 , Vol. 635, Iss. 1, 2003-09 , pp. 91-103

Elsevier

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Molecular graph center, a novel approach to locate the center of a molecule and a new centric index

By Hu Q.-N., Liang Y.-Z., Ren F.-L. in (2003)

Journal of Molecular Structure: THEOCHEM,volume 635,issue 1 , Vol. 635, Iss. 1, 2003-09 , pp. 105-113

Elsevier

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Density functional study of gas-surface reactivity: GeH 4 dissociative adsorption onto semiconductor surfaces

By Lin J.S., Chou W.-C. in (2003)

Journal of Molecular Structure: THEOCHEM,volume 635,issue 1 , Vol. 635, Iss. 1, 2003-09 , pp. 115-124

Elsevier

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