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Comment on ``Fermi resonance in solid CO~2 under pressure'' [J. Chem. Phys. 138, 074501 (2013)] (1 page)

Cardini, G.; Schettino, V.

Journal of chemical physics. VOL 140; NUMB 17, ; 2014, 177101 -- AMERICAN INSTITUTE OF PHYSICS Part 17; -- 2014

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Microsolvation effect on chemical reactivity: The case of the Cl^-+CH~3Br S~N2 reaction

Raugei, S. Cardini, G. Schettino, V.

Journal of chemical physics. VOL 114; PART 9, ; 2001, 4089-4098 -- AMERICAN INSTITUTE OF PHYSICS (pages 4089-4098) -- 2001

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An ab initio molecular dynamics study of the S~N2 reaction Cl^-+CH~3Br→CH~3Cl+Br^-

Raugei, S.; Cardini, G.; Schettino, V.

Journal of chemical physics. VOL 111; PART 24, ; 1999, 10887-10894 -- AMERICAN INSTITUTE OF PHYSICS (pages 10887-10894) -- 1999

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A molecular dynamics study of translation-rotation coupling in the NaCN plastic crystal

Chelli, R.; Cardini, G.; Califano, S.

Journal of chemical physics. VOL 107; NUMBER 19, ; 1997, 8041-8050 -- AMERICAN INSTITUTE OF PHYSICS Part: Part 19; (pages 8041-8050) -- 1997

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High pressure reactivity of propene by first principles molecular dynamics calculations

Mugnai, M.; Cardini, G.; Schettino, V.

Journal of chemical physics. VOL 120; PART 11, ; 2004, 5327-5333 -- AMERICAN INSTITUTE OF PHYSICS (pages 5327-5333) -- 2004

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An ab initio molecular dynamics study of the S~N2 reaction F^-+CH~3Cl→CH~3F+Cl^-

Mugnai, M. Cardini, G. Schettino, V.

Journal of chemical physics. VOL 118; PART 6, ; 2003, 2767-2774 -- AMERICAN INSTITUTE OF PHYSICS (pages 2767-2774) -- 2003

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A molecular dynamics study of the CO~2/NaCl(001) system

Vigiani, A.; Cardini, G.; Schettino, V.

Journal of chemical physics. VOL 106; NUMBER 13, ; 1997, 5693-5705 -- AMERICAN INSTITUTE OF PHYSICS Part: Part 13; (pages 5693-5705) -- 1997

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Dynamical and structural correlation in supercooled liquids: A molecular dynamics investigation of m-toluidine

Chelli, R. Cardini, G. Procacci, P. Righini, R. Califano, S.

Journal of chemical physics. VOL 119; PART 1, ; 2003, 357-363 -- AMERICAN INSTITUTE OF PHYSICS (pages 357-363) -- 2003

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Orientational ordering in the mixed crystal Ar~1~-~x(N~2)~x: A molecular dynamics study

Raugei, S. et al.

Journal of chemical physics. VOL 106; NUMBER 19, ; 1997, 8196-8203 -- AMERICAN INSTITUTE OF PHYSICS Part: Part 19; (pages 8196-8203) -- 1997

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Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method

Chelli, R. et al.

Journal of chemical physics. VOL 111; NUMBER 9, ; 1999, 4218-4229 -- AMERICAN INSTITUTE OF PHYSICS (pages 4218-4229) -- 1999

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  1. Cardini, G.
  2. Schettino, V.
  3. Chelli, R.
  4. Raugei, S.
  5. Pagliai, M.

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