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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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13
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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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14
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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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15
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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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16
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Hydrogen bond dynamics in liquid methanol

Pagliai, M. et al.

Journal of chemical physics. VOL 119; PART 13, ; 2003, 6655-6662 -- AMERICAN INSTITUTE OF PHYSICS (pages 6655-6662) -- 2003

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17
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On the vibrational assignment of fullerene C~6~0

Schettino, V. et al.

Journal of chemical physics. VOL 101; NUMBER 12, ; 1994, 11079 -- AMERICAN INSTITUTE OF PHYSICS Part: Part 12; -- 1994

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18
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Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: Implications for charge transfer (10 pages)

Chelli, R. et al.

Journal of chemical physics. VOL 122; NUMB 7, ; 2005, 074504 -- AMERICAN INSTITUTE OF PHYSICS Part: Part 7; -- 2005

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19
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Path-breaking schemes for nonequilibrium free energy calculations (11 pages)

Chelli, R. et al.

Journal of chemical physics. VOL 138; NUMB 21, ; 2013, 214109 -- AMERICAN INSTITUTE OF PHYSICS Part; -- 2013

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20
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Intramolecular solvation effects in the S~N2 reaction Cl^-+Cl(CH~2)~nCN

Pagliai, M. et al.

Journal of chemical physics. VOL 119; PART 17, ; 2003, 9063-9072 -- AMERICAN INSTITUTE OF PHYSICS (pages 9063-9072) -- 2003

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by this Author/Contributor:

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

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