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Journal of Molecular Structure is a scientific journal published by Elsevier ScienceDirect since 1968. Its articles discuss molecular structure in chemistry ...

Journal description. Theochem publishes research related to the theory and modelling of molecular systems. This includes, but is not limited to, electronic structure, ab initio and semiempirical ...

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Journal of Molecular Structure: THEOCHEM. Puplications (All) Show/Hide filters Type 1 Journal Article; 1 Journal Article; Author 1 Hameed, Ali Jameel; 1 Ibrahim, Medhat; 1 Prof. Dr. Hanan Gouda Abdelwahab Ahmed Elhaes; Subject 1 Dithio functional group; 1 Dithiocarbamate; 1 ...

H. Joo et al./Journal of Molecular Structure: THEOCHEM 862 (2008) 66–73 67 The quantum chemical description of 2 and 3 obtained in this way refers to the gas phase situation and identifies the electronic

In accordance with Theochem-Journal of Molecular Structure's editorial policy, review content is not publicly displayed on Publons.

Journal of Molecular Structure: THEOCHEM Journal. Latest Articles. Density functional theory study of the hydrogen chemisorption of single-walled carbon ...

30.12.2010 · Read the latest articles of Journal of Molecular Structure: THEOCHEM at ScienceDirect.com, Elsevier’s leading platform of peer-reviewed scholarly literature

84 B. Szefczyk et al./Journal of Molecular Structure: THEOCHEM 946 (2010) 83–87. statistics. In AUT, the interactions between SAM, water and ions did

4 F. Khalili et al./Journal of Molecular Structure: THEOCHEM 916 (2009) 1–9 [34] by adding explicit water molecules inside the solute cavity (tried in this work).

Journal ofMolecular Structure - Theochem, 2010;940(1-3):45-49). Additional information can be obtained by contacting L.X. Zhou, Jinan University, ...

Journal ofMolecular Structure-Theochem, 389, 97–103. Clare, B. W., & Kepert, D. L. (1999a). The structures of C60F36 and new possible structures for C60H36.

84 B. Szefczyk et al./Journal of Molecular Structure: THEOCHEM 946 (2010) 83–87. statistics. In AUT, the interactions between SAM, water and ions did notfullystabilizeuntil15ns,therefore,therunwasextendedandsta-tistics were collected between 15 and 23 ns. In AUT2 the production

50 J.-C. Monbaliu et al./Journal of Molecular Structure: THEOCHEM 959 (2010) 49–54. concluded that a concerted very asynchronous TS for the cycload-dition HNO + butadiene may link the starting material to an ‘‘inter-mediate” in which the C–N bond is …

Read the latest articles of Journal of Molecular Structure: THEOCHEM at ScienceDirect.com, Elsevier's leading platform of peer-reviewed scholarly ...

50 J.-C. Monbaliu et al./Journal of Molecular Structure: THEOCHEM 959 (2010) 49–54 concluded that a concerted very asynchronous TS for the cycload- dition HNO + butadiene may link the starting material to an ‘‘inter-

Journal description. Theochem publishes research related to the theory and modelling of molecular systems. This includes, but is not limited to, electronic structure, ab initio and semiempirical ...

Nov 08, 2004 · Read the latest articles of Journal of Molecular Structure: THEOCHEM at ScienceDirect.com, Elsevier’s leading platform of peer-reviewed scholarly literature

Dec 30, 2010 · Read the latest articles of Journal of Molecular Structure: THEOCHEM at ScienceDirect.com, Elsevier’s leading platform of peer-reviewed scholarly literature

The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information ...

28.02.2006 · Read the latest articles of Journal of Molecular Structure: THEOCHEM at ScienceDirect.com, Elsevier’s leading platform of peer-reviewed scholarly literature

Journal of molecular structure / Theochem. Common abbreviations: THEOCHEM (Netherlands) [DE-600] THEOCHEM [DE-600] Theochem (J. Mol. Struct.) [DE-600] J Mol ...

Journal of Molecular Structure THEOCHEM | Citations: 7747 | Theochem publishes research related to the theory and modelling of molecular systems.

08.11.2004 · Read the latest articles of Journal of Molecular Structure: THEOCHEM at ScienceDirect.com, Elsevier’s leading platform of peer-reviewed scholarly literature