Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg--Teller effect: The Q[sub x] band of porphyrin as a case study Export

@article{citeulike:5229511, author = {Santoro, Fabrizio and Lami, Alessandro and Improta, Roberto and Bloino, Julien and Barone, Vincenzo}, citeulike-article-id = {5229511}, citeulike-linkout-0 = {http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=JCPSA6000128000022224311000001&idtype=cvips&gifs=yes}, citeulike-linkout-1 = {http://link.aip.org/link/?JCP/128/224311}, journal = {The Journal of Chemical Physics}, keywords = {ab-initio, frequency, spectra, td-dft}, number = {22}, pages = {224311+}, posted-at = {2009-07-22 16:14:51}, priority = {2}, publisher = {AIP}, title = {Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg--Teller effect: The Q[sub x] band of porphyrin as a case study}, url = {http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=JCPSA6000128000022224311000001&idtype=cvips&gifs=yes}, volume = {128}, year = {2008} }

TY - JOUR ID - citeulike:5229511 L3 - citeulike-article-id:5229511 IS - 22 JF - The Journal of Chemical Physics TI - Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg--Teller effect: The Q[sub x] band of porphyrin as a case study PB - AIP VL - 128 SP - 224311 KW - ab-initio KW - frequency KW - spectra KW - td-dft AU - Santoro, Fabrizio AU - Lami, Alessandro AU - Improta, Roberto AU - Bloino, Julien AU - Barone, Vincenzo PY - 2008/// UR - http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=JCPSA6000128000022224311000001&idtype=cvips&gifs=yes ER -