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Results: 1630

Heribert Reis, Oleksander Loboda, Aggelos Avramopoulos, Manthos G. Papadopoulos, Bernard Kirtman, Josep M. Luis, Robert Zaleśny
Electronic and vibrational linear and nonlinear polarizabilities of Li@C60 and [Li@C60]+
J. Comput. Chem., 2011, 32, 908-914
DOI: 10.1002/jcc.21674

Emili Besalú, Ramon Carbó-Dorca
The general Gaussian product theorem
J. Math. Chem., 2011, 49, 1769-1784
DOI: 10.1007/s10910-011-9857-9

Emili Besalú, Ramon Carbó-Dorca
n-Dimensional Euclidean space Gaussian enfoldment
J. Math. Chem., 2011, 49, 2231-2243
DOI: 10.1007/s10910-011-9882-8

Ramon Carbó-Dorca, Emili Besalú
Geometry of n-dimensional Euclidean space Gaussian enfoldments
J. Math. Chem., 2011, 49, 2244-2249
DOI: 10.1007/s10910-011-9883-7

Joaquim Chaves, J. M. Barroso, Emili Besalú
An iterative perturbation theory with a Hamiltonian modifier
J. Math. Chem., 2011, 49, 666-686
DOI: 10.1007/s10910-010-9762-7

Halina Szatyłowicz, Tadeusz M. Krygowski, Marcin Palusiak, Jordi Poater, Miquel Solà
Routes of -Electron Delocalization in 4-Substituted-1,2-benzoquinones
J. Org. Chem., 2011, 76, 550-556
DOI: 10.1021/jo102065e

Majid El-Hamdi, William Tiznado, Jordi Poater, Miquel Solà
An Analysis of the Isomerization Energies of 1,2-/1,3-Diazacyclobutadiene, Pyrazole/Imidazole, and Pyridazine/Pyrimidine with the Turn-Upside-Down Approach
J. Org. Chem., 2011, 76, 8913-8921
DOI: 10.1021/jo201639k

Bartlmiej Skwara, Robert W. Góra, Robert Zaleśny, Paweł Lipkowski, Wojciech Bartkowiak, Heribert Reis, Manthos G. Papadopoulos, Josep M. Luis, Bernard Kirtman
Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C₂₈
J. Phys. Chem. A, 2011, 115, 10370-10381
DOI: 10.1021/jp206331n

Lluís Armangué, Miquel Solà, Marcel Swart
Nuclear Shieldings with the SSB-D Functional
J. Phys. Chem. A, 2011, 115, 1250-1256
DOI: 10.1021/jp108327c

Albert Rimola, Jorge Alí-Torres, Cristina Rodríguez-Rodríguez, Jordi Poater, Eduard Matito, Miquel Solà, Mariona Sodupe
Ab Initio Design of Chelating Ligands Relevant to Alzheimers Disease: Influence of Metalloaromaticity
J. Phys. Chem. A, 2011, 115, 12659-12666
DOI: 10.1021/jp203465h