Journal Article

Transferable group contributions for a variety of chemical phenomena and compounds

G. Alagona, S. Campanile, C. Ghio, A. Giolitti and S. Monti

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 2003, Volume 110, Number 6, Pages 446-459

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Journal Article

A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase

Benedetta Mennucci, Chiara Cappelli, Roberto Cammi and Jacopo Tomasi

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 2007, Volume 117, Numbers 5-6, Pages 1029-1039

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Journal Article

Solvent effects on ¹⁷O nuclear magnetic shielding: N-methylformamide in polar and apolar solutions

Maurizio Cossi and Orlando Crescenzi

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 2004, Volume 111, Numbers 2-6, Pages 162-167

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Journal Article

Second-order Mø øller–Plesset second derivatives for the polarizable continuum model: theoretical bases and application to solvent effects in electrophilic bromination of ethylene

Roberto Cammi, Benedetta Mennucci, Christian Pomelli, Chiara Cappelli and Stefano Corni, et al.

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 2004, Volume 111, Numbers 2-6, Pages 66-77

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Journal Article

Achieving linear-scaling computational cost for the polarizable continuum model of solvation

Giovanni Scalmani, Vincenzo Barone, Konstantin N. Kudin, Christian S. Pomelli and Gustavo E. Scuseria, et al.

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 2004, Volume 111, Numbers 2-6, Pages 90-100

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Journal Article

The effects of solvation in the theoretical spectra of cationic dyes

P. Homem-de-Mello, B. Mennucci, J. Tomasi and A. B. F. da Silva

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 2005, Volume 113, Number 5, Pages 274-280

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Journal Article

Thirty years of continuum solvation chemistry: a review, and prospects for the near future

J. Tomasi

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 2004, Volume 112, Number 4, Pages 184-203

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Solvation effects on cation–p interactions: a test study involving the quaternary ammonium ion

Carlo Adamo, Gaston Berthier and Roger Savinelli

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 2004, Volume 111, Numbers 2-6, Pages 176-181

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Journal Article

DFT Calculation of Deuterium Quadrupolar Tensor in Crystal Anthracene

Michele Pavanello, Benedetta Mennucci and Jacopo Tomasi

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 2006, Volume 116, Numbers 4-5, Pages 711-717

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