화학공학소재연구정보센터
검색결과 : 33건
No. Article
1 Binding of oxygen with titanium dioxide on singlet potential energy surface: An ab initio investigation
Bogdanchikov GA, Baklanov AV
Chemical Physics Letters, 667, 216, 2017
2 Combined gradient projection/single component artificial force induced reaction (GP/SC-AFIR) method for an efficient search of minimum energy conical intersection (MECI) geometries
Harabuchi Y, Taketsugu T, Maeda S
Chemical Physics Letters, 674, 141, 2017
3 Ultrafast isomerization in a difluoroboryl-coordinated molecular switch
Consani C, Berberich M, Wurthner F, Brixner T
Chemical Physics Letters, 683, 83, 2017
4 Ultrafast photochemistry with two product channels: Wavepacket motion through two distinct conical intersections
Riedle E, Roos MK, Thallmair S, Sailer CF, Krebs N, Fingerhut BP, de Vivie-Riedle R
Chemical Physics Letters, 683, 128, 2017
5 Monitoring non-adiabatic dynamics in CS2 with time- and energy-resolved photoelectron spectra of wavepackets
Wang K, McKoy V, Hockett P, Stolow A, Schuurman MS
Chemical Physics Letters, 683, 579, 2017
6 Nonplanar structure of C6H5SCF3 facilitates pi sigma*-mediated photodissociation reaction on the S-1 state
Kim SY, Lee J, Kim SK, Choi YS
Chemical Physics Letters, 659, 43, 2016
7 Nonadiabatic Pathways of Furan and Dibenzofuran: What Makes Dibenzofuran Fluorescent?
Harabuchi Y, Taketsugu T, Maeda S
Chemistry Letters, 45(8), 940, 2016
8 Exploring photochemistry of 2-(phenylazo)pyridine dye by using TDDFT/DFT methods
Tongying P, Yoopensuk S, Leesakul N, Tantirungrotechai Y
Canadian Journal of Chemical Engineering, 90(4), 860, 2012
9 Quantum dynamics of photoexcited cyclohexadiene introducing reactive coordinates
Hofmann A, de Vivie-Riedle R
Journal of Chemical Physics, 112(11), 5054, 2000
10 Photodissociation of water. II. Wave packet calculations for the photofragmentation of H2O and D2O in the (B)over-tilde band
van Harrevelt R, van Hemert MC
Journal of Chemical Physics, 112(13), 5787, 2000