Theoretical study of the pyrolysis of methyltrichlorosilane in the gas phase. 3. Reaction rate constant calculations Y Ge, MS Gordon, F Battaglia, RO Fox The Journal of Physical Chemistry A 114 (6), 2384-2392, 2010 | 84 | 2010 |
Breaking bonds with the left eigenstate completely renormalized coupled-cluster method Y Ge, MS Gordon, P Piecuch The Journal of chemical physics 127 (17), 2007 | 77 | 2007 |
Theoretical study of the pyrolysis of methyltrichlorosilane in the gas phase. 2. Reaction paths and transition states Y Ge, MS Gordon, F Battaglia, RO Fox The Journal of Physical Chemistry A 111 (8), 1475-1486, 2007 | 57 | 2007 |
Theoretical study of the pyrolysis of methyltrichlorosilane in the gas phase. 1. Thermodynamics Y Ge, MS Gordon, F Battaglia, RO Fox The Journal of Physical Chemistry A 111 (8), 1462-1474, 2007 | 55 | 2007 |
Breaking bonds of open-shell species with the restricted open-shell size extensive left eigenstate completely renormalized coupled-cluster method Y Ge, MS Gordon, P Piecuch, M Włoch, JR Gour The Journal of Physical Chemistry A 112 (46), 11873-11884, 2008 | 39 | 2008 |
Global optimization of H-passivated Si clusters with a genetic algorithm Y Ge, JD Head The Journal of Physical Chemistry B 106 (28), 6997-7004, 2002 | 23 | 2002 |
Global optimization of SixHy at the ab initio level via an iteratively parametrized semiempirical method Y Ge, JD Head International journal of quantum chemistry 95 (4‐5), 617-626, 2003 | 18 | 2003 |
Global optimization of H-passivated Si clusters at the ab initio level via the GAM1 semiempirical method Y Ge, JD Head The Journal of Physical Chemistry B 108 (19), 6025-6034, 2004 | 17 | 2004 |
Fast global optimization of SixHy clusters: new mutation operators in the cluster genetic algorithm Y Ge, JD Head Chemical physics letters 398 (1-3), 107-112, 2004 | 16 | 2004 |
Tools for Prescreening the Most Active Sites on Ir and Rh Clusters toward C–H Bond Cleavage of Ethane: NBO Charges and Wiberg Bond Indexes Y Ge, A Le, GJ Marquino, PQ Nguyen, K Trujillo, S Morgan, A Noble ACS Omega 4 (20), 18809-18819, 2019 | 14 | 2019 |
Size and site dependence of the catalytic activity of iridium clusters toward ethane dehydrogenation Y Ge, H Jiang, R Kato, P Gummagatta The Journal of Physical Chemistry A 120 (47), 9500-9508, 2016 | 14 | 2016 |
A B3LYP study on the C–H activation in propane by neutral and+ 1 charged low-energy platinum clusters with 2–6 atoms TC Shore, D Mith, D DePrekel, S McNall, Y Ge Reaction Kinetics, Mechanisms and Catalysis 109 (2), 315-333, 2013 | 14 | 2013 |
Using a Spreadsheet To Solve the Schrödinger Equations for the Energies of the Ground Electronic State and the Two Lowest Excited States of H2 Y Ge, RC Rittenhouse, JC Buchanan, B Livingston Journal of Chemical Education 91 (6), 853-859, 2014 | 10 | 2014 |
The Potential Energy Surface of the H2O2 System Y Ge, K Olsen, RI Kaiser, JD Head AIP CONFERENCE PROCEEDINGS 855, 253, 2006 | 9 | 2006 |
Let Students Derive, by Themselves, Two-Dimensional Atomic and Molecular Quantum Chemistry from Scratch Y Ge Journal of Chemical Education 93 (12), 2033–2039, 2016 | 8 | 2016 |
Visualizing Solutions of the One-Dimensional Schrödinger Equation Using a Finite Difference Method AM Halpern, Y Ge, ED Glendening Journal of Chemical Education 99 (8), 3053-3060, 2022 | 5 | 2022 |
Agreement, Complement, and Disagreement to “Why Are Some Reactions Slower at Higher Temperatures?” Y Ge Journal of Chemical Education 94, 821-823, 2017 | 4 | 2017 |
Theoretical calculations on the hydrogen elimination of ethene with chemical accuracy Y Ge, TC Shore Computational and Theoretical Chemistry 978 (1-3), 57-66, 2011 | 4 | 2011 |
Ligand effects on Si x L y cluster structures with L= H and F Y Ge, JD Head* Molecular Physics 103 (6-8), 1035-1045, 2005 | 4 | 2005 |
Can CP Be Less Than CV? Y Ge, SL Montgomery, GL Borrello ACS omega 6 (16), 11083-11085, 2021 | 2 | 2021 |