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Vibrational Frequencies of Fullerenes C~6~0 and C~7~0 under Pressure Studied with a Quantum Chemical Model Including Spatial Confinement Effects

Pagliai, M.; Cardini, G.; Cammi, R.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. VOL 118; NUMB 27, ; 2014, 5098-5111 -- AMERICAN CHEMICAL SOCIETY Part 27; (pages 5098-5111) -- 2014

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The Infrared and Raman Spectra of Fullerene C~7~0. DFT Calculations and Correlation with C~6~0

Schettino, V. Pagliai, M. Cardini, G.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. VOL 106; PART 9, ; 2002, 1815-1823 -- AMERICAN CHEMICAL SOCIETY (pages 1815-1823) -- 2002

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Substitution and Elimination Reaction of F^- with C~2H~5Cl: An ab Initio Molecular Dynamics Study

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

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. VOL 107; PART 14, ; 2003, 2540-2547 -- AMERICAN CHEMICAL SOCIETY (pages 2540-2547) -- 2003

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Bifurcated Hydrogen Bond in Lithium Nitrate Trihydrate Probed by ab Initio Molecular Dynamics

Muniz-Miranda, F. et al.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. VOL 116; NUMB 9, ; 2012, 2147-2153 -- AMERICAN CHEMICAL SOCIETY Part: Part 9; (pages 2147-2153) -- 2012

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The Vibrational Spectrum of Fullerene C~6~0

Schettino, V. Pagliai, M. Ciabini, L. Cardini, G.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. VOL 105; PART 50, ; 2001, 11192-11196 -- AMERICAN CHEMICAL SOCIETY (pages 11192-11196) -- 2001

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Solvation Dynamics and Adsorption on Ag Hydrosols of Oxazole: A Raman and Computational Study

Pagliai, M. et al.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. VOL 113; NUMB 52, ; 2009, 15198-15205 -- AMERICAN CHEMICAL SOCIETY (pages 15198-15205) -- 2009

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Low-Frequency Vibrations of all-trans-Retinal: Far-Infrared and Raman Spectra and Density Functional Calculations

Gervasio, F. L. et al.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. VOL 102; NUMBER 12, ; 1998, 2131-2136 (pages 2131-2136) -- 1998

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Conformational Distribution of Gas-phase Glycerol

Chelli, R. Gervasio, F. L. Gellini, C. Procacci, P. Cardini, G.; Schettino, V.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. VOL 104; PART 47, ; 2000, 11220-11222 -- AMERICAN CHEMICAL SOCIETY (pages 11220-11222) -- 2000

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Structural and Vibrational Properties of Arsenic Sulfides: Alacranite (As~8S~9)

Pagliai, M. et al.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. VOL 115; NUMB 17, ; 2011, 4558-4562 -- AMERICAN CHEMICAL SOCIETY -- 2011

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Density Functional Calculation of Structural and Vibrational Properties of Glycerol

Chelli, R. et al.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. VOL 104; PART 22, ; 2000, 5351-5357 (pages 5351-5357) -- 2000

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by this Author/Contributor:

  1. Cardini, G.
  2. Pagliai, M
  3. Schettino, V.
  4. Gervasio, F. L.
  5. Muniz-Miranda, M.

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