화학공학소재연구정보센터
검색결과 : 48건
No. Article
1 Squeezing All Elements in the Periodic Table: Electron Configuration and Electronegativity of the Atoms under Compression
Rahm M, Cammi R, Ashcroft NW, Hoffmann R
Journal of the American Chemical Society, 141(26), 10253, 2019
2 Diels-Alder Cycloaddition of Cyclopentadiene and C-60 at the Extreme High Pressure
Yang T, Fukuda R, Cammi R, Ehara M
Journal of Physical Chemistry A, 121(22), 4363, 2017
3 Insights on the Realgar Crystal Under Pressure from XP-PCM and Periodic Model Calculations
Caratelli C, Cammi R, Chelli R, Pagliai M, Cardini G, Schettino V
Journal of Physical Chemistry A, 121(46), 8825, 2017
4 XP-PCM Calculations of High Pressure Structural and Vibrational Properties of P4S3
Pagliai M, Cammi R, Cardini G, Schettino V
Journal of Physical Chemistry A, 120(27), 5136, 2016
5 Equation of Motion for the Solvent Polarization Apparent Charges in the Polarizable Continuum Model: Application to Real-Time TDDFT
Corni S, Pipolo S, Cammi R
Journal of Physical Chemistry A, 119(21), 5405, 2015
6 Vibrational Frequencies of Fullerenes C-60 and C-70 under Pressure Studied with a Quantum Chemical Model Including Spatial Confinement Effects
Pagliai M, Cardini G, Cammi R
Journal of Physical Chemistry A, 118(27), 5098, 2014
7 Optical absorption and fluorescence of PRODAN in solution: Quantum chemical study based on the symmetry-adapted cluster-configuration interaction method
Fukuda R, Chidthong R, Cammi R, Ehara M
Chemical Physics Letters, 552, 53, 2012
8 Toward a Quantum-Mechanical Description of 2D-IR Spectra of Solvated Systems: The Vibrational Mode Coupling within A Polarizable Continuum Model
Biancardi A, Cappelli C, Mennucci B, Cammi R
Journal of Physical Chemistry B, 114(14), 4924, 2010
9 Structure versus Solvent Effects on Nonlinear Optical Properties of Push-Pull Systems: A Quantum-Mechanical Study Based on a Polarizable Continuum Model
Corozzi A, Mennucci B, Cammi R, Tomasi J
Journal of Physical Chemistry A, 113(52), 14774, 2009
10 How the environment controls absorption and fluorescence spectra of PRODAN: A quantum-mechanical study in homogeneous and heterogeneous media
Mennucci B, Caricato M, Ingrosso F, Cappelli C, Cammi R, Tomasi J, Scalmani G, Frisch MJ
Journal of Physical Chemistry B, 112(2), 414, 2008