TY - JOUR T1 - A Theoretical Study on ESPT Mechanism of DALL-AcOH Complex JO - Communications in Computational Chemistry VL - 1 SP - 1 EP - 8 PY - 2016 DA - 2016/04 SN - 4 DO - http://doi.org/10.4208/cicc.2016.v4.n1.1 UR - https://global-sci.org/intro/article_detail/cicc/337.html KW - Infrared spectra, ESIPT, TICT, Frontier molecular orbitals. AB -