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Takayanagi, Toshiyuki (2017) Nonadiabatic quantum dynamics calculations of transition state spectroscopy of I + HI and I + DI reactions: the existence of long life vibrational bonding resonances. Physical Chemistry Chemical Physics, 19 (43). 29125-29133 doi:10.1039/c7cp05478e

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Reference TypeJournal (article/letter/editorial)
TitleNonadiabatic quantum dynamics calculations of transition state spectroscopy of I + HI and I + DI reactions: the existence of long life vibrational bonding resonances
JournalPhysical Chemistry Chemical Physics
AuthorsTakayanagi, ToshiyukiAuthor
Year2017Volume19
Issue43
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c7cp05478eSearch in ResearchGate
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Mindat Ref. ID4031837Long-form Identifiermindat:1:5:4031837:0
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Full ReferenceTakayanagi, Toshiyuki (2017) Nonadiabatic quantum dynamics calculations of transition state spectroscopy of I + HI and I + DI reactions: the existence of long life vibrational bonding resonances. Physical Chemistry Chemical Physics, 19 (43). 29125-29133 doi:10.1039/c7cp05478e
Plain TextTakayanagi, Toshiyuki (2017) Nonadiabatic quantum dynamics calculations of transition state spectroscopy of I + HI and I + DI reactions: the existence of long life vibrational bonding resonances. Physical Chemistry Chemical Physics, 19 (43). 29125-29133 doi:10.1039/c7cp05478e
In(2017) Physical Chemistry Chemical Physics Vol. 19 (43) Royal Society of Chemistry (RSC)

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Yoshida, Takahiko, Sato, Kazuma, Takayanagi, Toshiyuki (2015) First-principles simulations of transition state spectra of the I + HI and I + DI reactions and vibrational bonding in IMuI. Chemical Physics, 457. 51-56 doi:10.1016/j.chemphys.2015.05.019
Takayanagi, Toshiyuki (2020) Quantum dynamics analysis of transition-state spectrum for the SH + H2S → H2S + SH reaction. Physical Chemistry Chemical Physics, 22 (35) 19845-19854 doi:10.1039/d0cp03072d
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Takayanagi, Toshiyuki (2002) Nonadiabatic quantum reactive scattering calculations for the O(1D)+H2, D2, and HD reactions on the lowest three potential energy surfaces. The Journal of Chemical Physics, 116 (6). 2439-2446 doi:10.1063/1.1434988
Murakami, Tatsuhiro, Takayanagi, Toshiyuki (2024) Computational study of the post-transition state dynamics for the OH + CH3OH reaction probed by photodetachment of the CH3O−(H2O) anion. Physical Chemistry Chemical Physics, 26 (28). doi:10.1039/d4cp01466a
Saito, Kohei, Sugiura, Yutaro, Miyazaki, Takaaki, Takahashi, Yukinobu, Takayanagi, Toshiyuki (2021) Quantum calculations of the photoelectron spectra of the OH−·NH3 anion: implications for OH + NH3 → H2O + NH2 reaction dynamics. Physical Chemistry Chemical Physics, 23 (11) 6950-6958 doi:10.1039/d0cp06514e
Takayanagi, Toshiyuki, Kurosaki, Yuzuru (2000) Quantum scattering calculations for the electronically nonadiabatic Br(2P1/2)+H2→HBr+H reaction. The Journal of Chemical Physics, 113 (17). 7158-7164 doi:10.1063/1.1312284
Mishra, Kamal K., Singh, Santosh K., Ghosh, Paulami, Ghosh, Debashree, Das, Aloke (2017) The nature of selenium hydrogen bonding: gas phase spectroscopy and quantum chemistry calculations. Physical Chemistry Chemical Physics, 19 (35). 24179-24187 doi:10.1039/c7cp05265k
Takayanagi, Toshiyuki, Kurosaki, Yuzuru, Ichihara, Akira (2000) Three-dimensional quantum reactive scattering calculations for the nonadiabatic (D+H2)+ reaction system. The Journal of Chemical Physics, 112 (6). 2615-2622 doi:10.1063/1.480835
Takayanagi, Toshiyuki (2007) Theoretical study of the H+Br2 and Mu+Br2 reactions: A new ab initio potential energy surface and quantum dynamics calculations. Chemical Physics, 334. 109-116 doi:10.1016/j.chemphys.2007.02.017
Shiga, Motoyuki, Takayanagi, Toshiyuki (2003) Quantum path-integral molecular dynamics calculations of the dipole-bound state of the water dimer anion. Chemical Physics Letters, 378. 539-547 doi:10.1016/s0009-2614(03)01347-2
 
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