Journal of Molecular Structure: THEOCHEM
Theory and Computation in Chemistry
As of 2011 continued as Computational and Theoretical Chemistry
Imprint: Elsevier
ISSN: 0166-1280
Most cited
Top 10 Cited (articles published in the last five years)
Extracted from Scopus (on Mon Jul 1)76 Casida, M.E. Time-dependent density-functional theory for molecules and molecular solids Journal of Molecular Structure: THEOCHEM, Volume 914, Issue 1-3, 2009-11-30, Pages 3-18 61 Ikhdair, S. | Sever, R. Exact polynomial eigensolutions of the Schrödinger equation for the pseudoharmonic potential Journal of Molecular Structure: THEOCHEM, Volume 806, Issue 1-3, 2007-03-31, Pages 155-158 59 Sun, Y.-X. | Hao, Q.-L. | Wei, W.-X. | Yu, Z.-X. | Lu, L.-D. | Wang, X. | Wang, Y.-S. Experimental and density functional studies on 4-(3,4-dihydroxybenzylideneamino)antipyrine, and 4-(2,3,4-trihydroxybenzylideneamino)antipyrine Journal of Molecular Structure: THEOCHEM, Volume 904, Issue 1-3, 2009-06-30, Pages 74-82 57 Pérez, P. | Domingo, L.R. | Duque-Noreña, M. | Chamorro, E. A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions Journal of Molecular Structure: THEOCHEM, Volume 895, Issue 1-3, 2009-02-15, Pages 86-91 50 Wang, R. | Zhang, D. | Sun, W. | Han, Z. | Liu, C. A novel aluminum-doped carbon nanotubes sensor for carbon monoxide Journal of Molecular Structure: THEOCHEM, Volume 806, Issue 1-3, 2007-03-31, Pages 93-97 45 Kleinpeter, E. | Klod, S. | Koch, A. Visualization of through space NMR shieldings of aromatic and anti-aromatic molecules and a simple means to compare and estimate aromaticity Journal of Molecular Structure: THEOCHEM, Volume 811, Issue 1-3, 2007-06-01, Pages 45-60 45 Jaramillo, P. | Domingo, L.R. | Chamorro, E. | Pérez, P. A further exploration of a nucleophilicity index based on the gas-phase ionization potentials Journal of Molecular Structure: THEOCHEM, Volume 865, Issue 1-3, 2008-09-30, Pages 68-72 45 Deka, A. | Deka, R.C. Structural and electronic properties of stable Aun (n = 2-13) clusters: A density functional study Journal of Molecular Structure: THEOCHEM, Volume 870, Issue 1-3, 2008-12-15, Pages 83-93 38 Ghasemi, J. | Saaidpour, S. | Brown, S.D. QSPR study for estimation of acidity constants of some aromatic acids derivatives using multiple linear regression (MLR) analysis Journal of Molecular Structure: THEOCHEM, Volume 805, Issue 1-3, 2007-02-28, Pages 27-32 36 Dobrowolski, J.Cz. | Rode, J.E. | Sadlej, J. Cysteine conformations revisited Journal of Molecular Structure: THEOCHEM, Volume 810, Issue 1-3, 2007-05-25, Pages 129-134 - View all items
