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Theoretical study of the low-lying electronic excited states for molecular aggregates
Shuai, ZhiGang, Liu, WenJian, Liang, WanZhen, Shi, Qiang, Chen, Hui
Published in Science China. Chemistry (01.09.2013)
Published in Science China. Chemistry (01.09.2013)
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Journal Article
Theoretical study on mechanisms of the high-temperature reactions C2H3 + H2O and C2H4 + OHElectronic supplementary information (ESI) available: Figures of optimized geometries of the fragments of C2H5O radicals, C2H5O isomers and C2H5O transition states and table of harmonic vibration frequencies of C2H3, H2O, TSR/P1, C2H4 and OH. See http://www.rsc.org/suppdata/cp/b1/b109758j
Liu, Gui-xia, Ding, Yi-hong, Li, Ze-sheng, Fu, Qiang, Huang, Xu-ri, Sun, Chia-chung, Tang, Au-chin
Published in Physical chemistry chemical physics : PCCP (04.03.2002)
Published in Physical chemistry chemical physics : PCCP (04.03.2002)
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Journal Article
UNDERSTANDING OF MOLECULAR FUNCTIONS: COMPUTATIONAL APPROACHES
MONDAL, CHANDAN KUMAR, LEE, JIN YONG
Published in Journal of theoretical & computational chemistry (01.12.2006)
Published in Journal of theoretical & computational chemistry (01.12.2006)
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Journal Article