1 |
On the electron-pair nature of the hydrogen bond in the framework of the atoms in molecules theory Poater J, Fradera X, Sola M, Duran M, Simon S Chemical Physics Letters, 369(1-2), 248, 2003 |
2 |
A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components Salvador P, Duran M, Fradera X Journal of Chemical Physics, 116(15), 6443, 2002 |
3 |
New insights in chemical reactivity by means of electron pairing analysis (vol 105A, pg 2052, 2001) Poater J, Sola M, Duran M, Fradera X Journal of Physical Chemistry A, 106(18), 4794, 2002 |
4 |
Electron-electron counterbalance density for molecules: Exchange and correlation effects Valderrama E, Fradera X, Ugalde JM Journal of Chemical Physics, 115(5), 1987, 2001 |
5 |
New insights in chemical reactivity by means of electron pairing analysis Poater J, Sola M, Duran M, Fradera X Journal of Physical Chemistry A, 105(10), 2052, 2001 |
6 |
Effects of solvation on the pairing of electrons in a series of simple molecules and in the Menshutkin reaction Poater J, Sola M, Duran M, Fradera X Journal of Physical Chemistry A, 105(25), 6249, 2001 |
7 |
Effect of basis set superposition error on the electron density of molecular complexes Salvador P, Fradera X, Duran M Journal of Chemical Physics, 112(23), 10106, 2000 |
8 |
The mapping of the local contributions of Fermi and Coulomb correlation into intracule and extracule density distributions Fradera X, Duran M, Mestres J Journal of Chemical Physics, 113(7), 2530, 2000 |
9 |
Interpretation of molecular intracule and extracule density distributions in terms of valence bond structures: Two-electron systems and processes Fradera X, Duran M, Mestres J Journal of Physical Chemistry A, 104(36), 8445, 2000 |
10 |
The Lewis model and beyond Fradera X, Austen MA, Bader RFW Journal of Physical Chemistry A, 103(2), 304, 1999 |