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Xiaohu LI, Ph.D. - Publications

Affiliations: 
2010 Chemistry Indiana University, Bloomington, Bloomington, IN, United States 
Area:
Physical Chemistry
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9 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2014 Li J, Li X, Iyengar SS. Vibrational Properties of Hydrogen-Bonded Systems Using the Multireference Generalization to the "On-the-Fly" Electronic Structure within Quantum Wavepacket ab Initio Molecular Dynamics (QWAIMD). Journal of Chemical Theory and Computation. 10: 2265-80. PMID 26580749 DOI: 10.1021/Ct5002347  0.663
2014 Li J, Li X, Iyengar SS. Vibrational properties of hydrogen-bonded systems using the multireference generalization to the "on-the-fly" electronic structure within quantum wavepacket ab initio molecular dynamics (QWAIMD) Journal of Chemical Theory and Computation. 10: 2265-2280. DOI: 10.1021/ct5002347  0.638
2011 Hocker D, Li X, Iyengar SS. Shannon Entropy Based Time-Dependent Deterministic Sampling for Efficient "On-the-Fly" Quantum Dynamics and Electronic Structure. Journal of Chemical Theory and Computation. 7: 256-68. PMID 26596149 DOI: 10.1021/Ct1005856  0.618
2011 Li X, Iyengar SS. Quantum wavepacket ab initio molecular dynamics for extended systems. The Journal of Physical Chemistry. A. 115: 6269-84. PMID 21491892 DOI: 10.1021/Jp112389M  0.618
2010 Li X, Iyengar SS. Quantum wavepacket ab initio molecular dynamics: generalizations using an extended Lagrangian treatment of diabatic states coupled through multireference electronic structure. The Journal of Chemical Physics. 133: 184105. PMID 21073211 DOI: 10.1063/1.3504167  0.637
2010 Li X, Oomens J, Eyler JR, Moore DT, Iyengar SS. Isotope dependent, temperature regulated, energy repartitioning in a low-barrier, short-strong hydrogen bonded cluster. The Journal of Chemical Physics. 132: 244301. PMID 20590187 DOI: 10.1063/1.3430525  0.545
2008 Li X, Moore DT, Iyengar SS. Insights from first principles molecular dynamics studies toward infrared multiple-photon and single-photon action spectroscopy: case study of the proton-bound dimethyl ether dimer. The Journal of Chemical Physics. 128: 184308. PMID 18532813 DOI: 10.1063/1.2903446  0.576
2008 Iyengar SS, Li X, Sumner I. Chapter 16 The Study of Dynamically Averaged Vibrational Spectroscopy of Atmospherically Relevant Clusters Using Ab Initio Molecular Dynamics in Conjunction with Quantum Wavepackets Advances in Quantum Chemistry. 55: 333-353. DOI: 10.1016/S0065-3276(07)00216-X  0.669
2007 Li X, Teige VE, Iyengar SS. Can the four-coordinated, penta-valent oxygen in hydroxide water clusters be detected through experimental vibrational spectroscopy? The Journal of Physical Chemistry. A. 111: 4815-20. PMID 17500543 DOI: 10.1021/Jp070241U  0.54
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