Nonadiabatic fragmentation of H2O+ and isotopomers. Wave packet propagation using ab initio wavefunctions

Jaime Suárez, L. Méndez and I. Rabadán

Phys. Chem. Chem. Phys., 2018, 20, 28511
DOI: 10.1039/C8CP03725F

Sub-femtosecond quantum dynamics of the strong-field ionization of water to the X̃2B1 and Ã2A1 states of the cation

B. Jayachander Rao and A. J. C. Varandas

Phys. Chem. Chem. Phys., 2015, 17, 6545
DOI: 10.1039/C4CP05549G

Dynamics of the O + H2+ → OH+ + H, OH + H+ proton and hydrogen atom transfer reactions on the two lowest potential energy surfaces

Rodrigo Martínez, Miguel Paniagua, Jordi Mayneris-Perxachs, Pablo Gamallo and Miguel González

Phys. Chem. Chem. Phys., 2017, 19, 3857
DOI: 10.1039/C6CP08538E

Born–Oppenheimer and Renner–Teller coupled-channel quantum reaction dynamics of O(3P) + H2+(X2Σg+) collisions

Pablo Gamallo, Paolo Defazio, Miguel González, Miguel Paniagua and Carlo Petrongolo

Phys. Chem. Chem. Phys., 2015, 17, 23392
DOI: 10.1039/C5CP03451E

A new potential energy surface of the OH2+ system and state-to-state quantum dynamics studies of the O+ + H2 reaction

Wentao Li, Jiuchuang Yuan, Meiling Yuan, Yong Zhang, Minghai Yao and Zhigang Sun

Phys. Chem. Chem. Phys., 2018, 20, 1039
DOI: 10.1039/C7CP03676K

Potential energy surfaces for singlet and triplet states of the LiH2+ system and quasi-classical trajectory cross sections for H + LiH+ and H+ + LiH

Javier Hernández-Rodríguez, Cristina Sanz-Sanz, Pedro Alberto Enríquez, Miguel González and Miguel Paniagua

Phys. Chem. Chem. Phys., 2023, 25, 28052
DOI: 10.1039/D3CP02959J

Nonadiabatic Renner–Teller quantum dynamics of OH(X2Π) + H+ reactive collisions

Pablo Gamallo, Sinan Akpinar, Paolo Defazio and Carlo Petrongolo

Phys. Chem. Chem. Phys., 2017, 19, 4454
DOI: 10.1039/C6CP07756K

Subfemtosecond Quantum Nuclear Dynamics in Water Isotopomers

B. Jayachander Rao and A. J. C. Varandas

J. Phys. Chem. A, 2015, 119, 4856
DOI: 10.1021/acs.jpca.5b02129

Sub-femtosecond nuclear dynamics and high-harmonic generation: Can muonated species be used as a probe of isotope effects?

B. Jayachander Rao and A.J.C. Varandas

Chemical Physics Letters, 2016, 653, 47
DOI: 10.1016/j.cplett.2016.03.057

Ion–Molecule Reaction Dynamics

Jennifer Meyer and Roland Wester

Annu. Rev. Phys. Chem., 2017, 68, 333
DOI: 10.1146/annurev-physchem-052516-044918

Studies of the Coriolis coupling effect on reaction dynamics of H ( S 2 ) + O H + ⃗ O ( P 3 ) + H 2 + ( Χ 2 Σ g + ) using the time dependent wave packet method

Yuzhi Song, Wenyi Zhang, Qingtian Meng and Shoubao Gao

J. Phys. B: At. Mol. Opt. Phys., 2019, 52, 105201
DOI: 10.1088/1361-6455/ab0fd8

Possible Formation and Destruction of the OD+ Ions in the Interstellar Medium

Niyazi Bulut, Octavio Roncero and François Lique

J. Phys. Chem. A, 2020, 124, 6552
DOI: 10.1021/acs.jpca.0c05021

Potential Energy Surfaces for the First Two Lowest-Lying Electronic States of the LiH2+ System, and Dynamics of the H+ + LiH ⇌ H2+ + Li + Reactions

Xiaohu He, Shuangjiang Lv, Tasawar Hayat and Keli Han

J. Phys. Chem. A, 2016, 120, 2459
DOI: 10.1021/acs.jpca.6b02007

The complex-formation dynamics of O + H(D)2+ (v = 0,1; j = 0) reactions on 12A'' and 12A′

Jiangru Pan, Yuliang Wang, Hui Li and Shuaiqi Ma

Computational and Theoretical Chemistry, 2023, 1228, 114292
DOI: 10.1016/j.comptc.2023.114292

Hyperfine excitation of OH+by H

François Lique, Niyazi Bulut and Octavio Roncero

Mon. Not. R. Astron. Soc., 2016, 461, 4477
DOI: 10.1093/mnras/stw1638

A time-dependent quantum dynamical study of the O(3P) + D2+→ OD++ D reaction

Ai-jie Zhang, Kai-lu Zang, Jian-feng Jia, Hai-shun Wu, Yi-Wang and Guang-jiu Zhao

Chemical Physics Letters, 2017, 676, 77
DOI: 10.1016/j.cplett.2017.03.026

Exploring the reaction dynamics of O(3P)+ (X2)→OH+(X3Σ−)+ H(2S) reaction with time‐dependent wave packet method

Yuan Zhang, En Cao, Shoubao Gao, Xin Huang, Qingtian Meng and Yuzhi Song

Int J of Quantum Chemistry, 2017, 117
DOI: 10.1002/qua.25343

Effects of collision energy on the stereodynamics of the reaction O + H2+→ OH + H+

Xiaolin Sui, Meishan Wang, Chuanlu Yang, Pengfei Wang and Xiaoguang Ma

Chemical Physics, 2016, 472, 156
DOI: 10.1016/j.chemphys.2016.03.022

Effect of vibrational pre-excitation on sub-femtosecond structural evolution of water cation in 2A1 state

B. Jayachander Rao and Minhaeng Cho

Chemical Physics, 2018, 515, 400
DOI: 10.1016/j.chemphys.2018.06.010

Examining the isotope effect on CH decay and H exchange reactions: H(2S) + CH(D/T)(2Π)

Lulu Zhang, Dong Liu, Yuzhi Song, Feng Gao and Qingtian Meng

Phys. Scr., 2021, 96, 015404
DOI: 10.1088/1402-4896/abc20d

Globally accurate ab initio based potential energy surface of H 2 O + ( X 4 A″)

Yu-Zhi Song, Yuan Zhang, Lu-Lu Zhang, Shou-Bao Gao and Qing-Tian Meng

Chinese Phys. B, 2015, 24, 063101
DOI: 10.1088/1674-1056/24/6/063101

Effect of Initial Vibrational-State Excitation on Subfemtosecond Photodynamics of Water

B. Jayachander Rao and A. J. C. Varandas

J. Phys. Chem. A, 2015, 119, 12367
DOI: 10.1021/acs.jpca.5b07593

Dynamics of the proton transfer reaction O + H2+(v = 0, j = 0) → OH+ + H on the ground 12A″ potential energy surface

Yuliang Wang, Hui Li, Jilei Zhang and Cunhai Liu

Molecular Physics, 2022, 120
DOI: 10.1080/00268976.2022.2122889

Photodissociation-driven photoacoustic spectroscopy with UV-LEDs for ozone detection

Lukas Escher, Thomas Rück, Simon Jobst, Jonas Pangerl, Rudolf Bierl and Frank-Michael Matysik

Photoacoustics, 2025, 43, 100718
DOI: 10.1016/j.pacs.2025.100718

Exchange and Inelastic OH+ + H Collisions on the Doublet and Quartet Electronic States

Niyazi Bulut, François Lique and Octavio Roncero

J. Phys. Chem. A, 2015, 119, 12082
DOI: 10.1021/acs.jpca.5b05246

Rotational Excitation of the OH+ Radical by Collision with H at Low Temperature

T. Stoecklin, M. A. Gannouni, N. E. Jaidane, P. Halvick and M. Hochlaf

J. Phys. Chem. A, 2015, 119, 12599
DOI: 10.1021/acs.jpca.5b09607