Volume 123, Issue 3-4

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June 2009

Salvetti Memorial Issue

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22 articles in this issue

Learning from the past: a personal view on the perspectives of quantum computational chemistry
Jacopo Tomasi
Overview 30 April 2009 Pages: 157 - 164
The importance of Colle–Salvetti for computational density functional theory
Nicholas C. Handy
Regular Article 04 March 2009 Pages: 165 - 169
The self-interaction error and the description of non-dynamic electron correlation in density functional theory
Jürgen Gräfenstein
Dieter Cremer
Regular Article 07 March 2009 Pages: 171 - 182
A variational density matrix approach with nonlocal effective potential
Renato Colle
Regular Article 22 February 2009 Pages: 183 - 187
Analysis of the stability of finite subspaces in density functional theory
Ramiro Pino
Olivier Bokanowski
Roberto López Boada
Regular Article 21 March 2009 Pages: 189 - 196
Some questions on the exchange contribution to the effective potential of the Kohn–Sham theory
Federico Moscardó
A. J. Pérez-Jiménez
J. C. Sancho-García
Regular Article 10 February 2009 Pages: 197 - 205
Some questions on the exchange contribution to the effective potential of the Kohn–Sham theory
Federico Moscardó
A. J. Pérez-Jiménez
J. C. Sancho-García
Erratum 08 April 2009 Pages: 207 - 207
From Hartree–Fock and Heitler–London to chemical orbitals
Giorgina Corongiu
Enrico Clementi
Regular Article 22 February 2009 Pages: 209 - 235
Combinatorics of angular momentum recoupling theory: spin networks, their asymptotics and applications
Vincenzo Aquilanti
Ana Carla P. Bitencourt
Mirco Ragni
Regular Article 11 February 2009 Pages: 237 - 247
The O + O₂ reaction: quantum detailed probabilities and thermal rate coefficients
Sergio Rampino
Dimitris Skouteris
Antonio Laganà
Regular Article 22 February 2009 Pages: 249 - 256
Reduced dipole pseudospectra for the accurate tabulation of C₆ dispersion coefficients
Valerio Magnasco
Giuseppe Figari
Regular Article 27 February 2009 Pages: 257 - 263
A numerical method for computing dispersion constants
Gian Luigi Bendazzoli
A. Monari
S. Evangelisti
Regular Article 21 February 2009 Pages: 265 - 272
Three-dimensional diabatic models for the ππ* → nπ* excited-state decay of uracil derivatives in solution
Fabrizio Santoro
Roberto Improta
Vincenzo Barone
Regular Article 22 February 2009 Pages: 273 - 286
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine
Celestino Angeli
Renzo Cimiraglia
Mirko Cestari
Regular Article 01 April 2009 Pages: 287 - 298
Interaction of biomolecular systems with titanium-based materials: computational investigations
Vincenzo Carravetta
Susanna Monti
Wenhua Zhang
Regular Article 06 February 2009 Pages: 299 - 309
Chemical reactivity of second-row transition metal clusters from Hückel-type calculations
Gaston Berthier
Mireille Defranceschi
Regular Article 22 February 2009 Pages: 311 - 316
Structural and electronic properties of small platinum metallorganic complexes
Giovanni Barcaro
Alessandro Fortunelli
Regular Article 25 March 2009 Pages: 317 - 325
A local-MP2 approach to the ab initio study of electron correlation in crystals and to the simulation of vibrational spectra: the case of Ice XI
Cesare Pisani
Lorenzo Maschio
Alessandro Erba
Regular Article 21 February 2009 Pages: 327 - 335
Stepwise versus concerted mechanisms in the Wittig reaction in vacuo and in THF: the case of 2,4-dimethyl-3-pyrrol-1-yl-pentanal and triphenylphosphonium ylide
Giuliano Alagona
Caterina Ghio
Regular Article 22 February 2009 Pages: 337 - 346
A theoretical study of the solvent effect on Diels-Alder reaction in room temperature ionic liquids using a supermolecular approach
Riccardo Bini
Cinzia Chiappe
Thomas Welton
Regular Article 22 February 2009 Pages: 347 - 352
Topological models of magnetic field induced current density field in small molecules
Stefano Pelloni
Paolo Lazzeretti
Riccardo Zanasi
Regular Article 26 February 2009 Pages: 353 - 364
An overview of the electronic structure in trigonal bipyramidal clusters of main elements or mixed with transition metals
Carlo Mealli
Abdelatif Messaoudi
Andrea Ienco
Overview 11 April 2009 Pages: 365 - 373

Volume 123, Issue 3-4

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