검색결과 : 17건
| No. | Article |
|---|---|
| 1 |
A Single Chiroptical Spectroscopic Method May Not Be Able To Establish the Absolute Configurations of Diastereomers: Dimethylesters of Hibiscus and Garcinia Acids Polavarapu PL, Donahue EA, Shanmugam G, Scalmani G, Hawkins EK, Rizzo C, Ibnusaud I, Thomas G, Habel D, Sebastian D Journal of Physical Chemistry A, 115(22), 5665, 2011 |
| 2 |
Studies of the Ground and Excited-State Surfaces of the Retinal Chromophore using CAM-B3LYP Rostov IV, Amos RD, Kobayashi R, Scalmani G, Frisch MJ Journal of Physical Chemistry B, 114(16), 5547, 2010 |
| 3 |
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 |
| 4 |
The geometries, absorption and fluorescence wavelengths of solvated fluorescent coumarins: A CIS and TD-DFT comparative Jacquemin D, Perpete EA, Assfeld X, Scalmani G, Frisch MJ, Adamo C Chemical Physics Letters, 438(4-6), 208, 2007 |
| 5 |
Fluorescence of 1,8-naphthalimide: A PCM-TD-DFT investigation Jacquemin D, Perpete EA, Scalmani G, Frisch MJ, Ciofini I, Adamo C Chemical Physics Letters, 448(1-3), 3, 2007 |
| 6 |
Absorption and emission spectra in gas-phase and solution using TD-DFT: Formaldehyde and benzene as case studies Jacquemin D, Perpete EA, Scalmani G, Frisch MJ, Ciofini M, Adamo C Chemical Physics Letters, 421(1-3), 272, 2006 |
| 7 |
Solvation of coumarin 153 in supercritical fluoroform Ingrosso F, Ladanyi BM, Mennucci B, Scalmani G Journal of Physical Chemistry B, 110(10), 4953, 2006 |
| 8 |
Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V, Improta R Journal of the American Chemical Society, 128(2), 607, 2006 |
| 9 |
Theoretical investigation of the electronic and optical properties of oligothiophenes upon methyl, thiol, and thiomethyl substitutions Costanzo F, Tonelli D, Scalmani G, Cornil J Polymer, 47(19), 6692, 2006 |
| 10 |
New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution Cossi M, Scalmani G, Rega N, Barone V Journal of Chemical Physics, 117(1), 43, 2002 |