CH-Stretching Vibrational Trends in Natural Gas Hydrates Studied by Quantum-Chemical ComputationsLiu, Yuan; Ojamäe, Lars · The Journal of Physical Chemistry C · 2015

Raman and IR Spectra of Ice Ih and Ice XI with an Assessment of DFT MethodsLiu, Yuan; Ojamäe, Lars · The Journal of Physical Chemistry B · 2016

¹³ C Chemical Shift in Natural Gas Hydrates from First-Principles Solid-State NMR CalculationsLiu, Yuan; Ojamäe, Lars · The Journal of Physical Chemistry C · 2016

C–C Stretching Raman Spectra and Stabilities of Hydrocarbon Molecules in Natural Gas Hydrates: A Quantum Chemical StudyLiu, Yuan; Ojamäe, Lars · The Journal of Physical Chemistry A · 2014

An ultralow-density porous ice with the largest internal cavity identified in the water phase diagramLiu, Yuan; Huang, Yingying; Zhu, Chongqin; Li, Hui; Zhao, Jijun; Wang, Lu; Ojamäe, Lars; Francisco, Joseph S.; Zeng, Xiao Cheng · Proceedings of the National Academy of Sciences · 2019

Fingerprints in IR OH vibrational spectra of H2O clusters from different H-bond conformations by means of quantum-chemical computationsLiu, Yuan; Ojamäe, Lars · Journal of Molecular Modeling · 2014

Unintentional doping in GaNZhu, Tongtong; Oliver, Rachel A. · Physical Chemistry Chemical Physics · 2012

Self-healing superhydrophobic materialsIonov, Leonid; Synytska, Alla · Physical Chemistry Chemical Physics · 2012

Redox reduxBeratan, David N.; Onuchic, José N. · Physical Chemistry Chemical Physics · 2012

Miniature biofuel cellsHeller, Adam · Physical Chemistry Chemical Physics · 2004

The hydrophobic effectWidom, B.; Bhimalapuram, P.; Koga, Kenichiro · Physical Chemistry Chemical Physics · 2003

Inelastic transport: a pseudoparticle approachWhite, Alexander J.; Galperin, Michael · Physical Chemistry Chemical Physics · 2012

Quantum chemistry of macromolecules and solidsHirata, So · Physical Chemistry Chemical Physics · 2009

Molecular controlled nano-devicesNaaman, Ron · Physical Chemistry Chemical Physics · 2011