화학공학소재연구정보센터
검색결과 : 25건
No. Article
1 Atomistic Modeling of Vibrational Action Spectra in Polyatomic Molecules: Nuclear Quantum Effects
Calvo F, Falvo C, Parneix P
Journal of Physical Chemistry A, 118(29), 5427, 2014
2 Accurate Modeling of Infrared Multiple Photon Dissociation Spectra: The Dynamical Role of Anharmonicities
Parneix P, Basire M, Calvo F
Journal of Physical Chemistry A, 117(19), 3954, 2013
3 Visible Photodissociation Spectra of the 1-and 2-Methylnaphthalene Cations: Laser Spectroscopy and Theoretical Simulations
Friha H, Feraud G, Troy T, Falvo C, Parneix P, Brechignac P, Dhaouadi Z, Schmidt TW, Pino T
Journal of Physical Chemistry A, 117(50), 13664, 2013
4 Temperature Effects on the Rovibrational Spectra of Pyrene-Based PAHs
Calvo F, Basire M, Parneix P
Journal of Physical Chemistry A, 115(32), 8845, 2011
5 Efficiency of Monte Carlo methods for densities and sums of rovibrational states
Calvo F, Basire M, Parneix P
Chemical Physics Letters, 496(1-3), 196, 2010
6 Finite-Temperature IR Spectroscopy of Polyatomic Molecules: A Theoretical Assessment of Scaling Factors
Basire M, Parneix P, Calvo F
Journal of Physical Chemistry A, 114(9), 3139, 2010
7 Temperature and Anharmonic Effects on the Infrared Absorption Spectrum from a Quantum Statistical Approach: Application to Naphthalene
Basire M, Parneix P, Calvo F, Pino T, Brechignac P
Journal of Physical Chemistry A, 113(25), 6947, 2009
8 Phase Space Theory of Evaporation in Neon Clusters: The Role of Quantum Effects
Calvo F, Parneix P
Journal of Physical Chemistry A, 113(52), 14352, 2009
9 Vibrations and thermodynamics of clusters of polycyclic aromatic hydrocarbon molecules: The role of internal modes
Rapacioli M, Calvo F, Joblin C, Parneix P, Spiegelman F
Journal of Physical Chemistry A, 111(16), 2999, 2007
10 Theoretical rates for the emission of atomic hydrogen from a naphthalene cation
Pino T, Parneix P, Calvo F, Brechignac P
Journal of Physical Chemistry A, 111(20), 4456, 2007