Year |
Citation |
Score |
2017 |
Ge Y. Agreement, Complement, and Disagreement to “Why Are Some Reactions Slower at Higher Temperatures?” Journal of Chemical Education. DOI: 10.1021/Acs.Jchemed.7B00208 |
0.317 |
|
2016 |
Ge Y, Jiang H, Kato R, Gummagatta P. Size and Site Dependence of the Catalytic Activity of Iridium Clusters toward Ethane Dehydrogenation. The Journal of Physical Chemistry. A. 120: 9500-9508. PMID 27934327 DOI: 10.1021/Acs.Jpca.6B09882 |
0.418 |
|
2015 |
Ge Y, Deprekel D, Lam KT, Ngo K, Vo P. Assessing density functionals for the prediction of thermochemistry of Ti-O-Cl species Journal of Theoretical and Computational Chemistry. 14. DOI: 10.1142/S0219633615500558 |
0.311 |
|
2014 |
Ge Y, Rittenhouse RC, Buchanan JC, Livingston B. Using a spreadsheet to solve the Schrödinger equations for the energies of the ground electronic state and the two lowest excited states of H2 Journal of Chemical Education. 91: 853-859. DOI: 10.1021/Ed400693P |
0.363 |
|
2013 |
Shore TC, Mith D, Deprekel D, McNall S, Ge Y. A B3LYP study on the C-H activation in propane by neutral and +1 charged low-energy platinum clusters with 2-6 atoms Reaction Kinetics, Mechanisms and Catalysis. 109: 315-333. DOI: 10.1007/S11144-013-0572-3 |
0.4 |
|
2011 |
Ge Y, Cameron Shore T. Theoretical calculations on the hydrogen elimination of ethene with chemical accuracy Computational and Theoretical Chemistry. 978: 57-66. DOI: 10.1016/J.Comptc.2011.09.036 |
0.424 |
|
2010 |
Ge Y, Gordon MS, Battaglia F, Fox RO. Theoretical study of the pyrolysis of methyltrichlorosilane in the gas phase. 3. Reaction rate constant calculations. The Journal of Physical Chemistry. A. 114: 2384-92. PMID 20104926 DOI: 10.1021/Jp911673H |
0.694 |
|
2008 |
Ge Y, Gordon MS, Piecuch P, W?och M, Gour JR. Breaking bonds of open-shell species with the restricted open-shell size extensive left eigenstate completely renormalized coupled-cluster method. The Journal of Physical Chemistry. A. 112: 11873-84. PMID 18959387 DOI: 10.1021/Jp806029Z |
0.721 |
|
2008 |
Shiraishi Y, Robinson D, Ge Y, Head JD. Low-energy structures of ligand passivated Si nanoclusters: Theoretical investigation of Si2L4 and Si10L16 (L = H, CH3, OH, and F) Journal of Physical Chemistry C. 112: 1819-1824. DOI: 10.1021/Jp076905H |
0.62 |
|
2007 |
Ge Y, Gordon MS, Piecuch P. Breaking bonds with the left eigenstate completely renormalized coupled-cluster method. The Journal of Chemical Physics. 127: 174106. PMID 17994806 DOI: 10.1063/1.2778419 |
0.627 |
|
2007 |
Ge Y, Gordon MS, Battaglia F, Fox RO. Theoretical study of the pyrolysis of methyltrichlorosilane in the gas phase. 2. Reaction paths and transition states. The Journal of Physical Chemistry. A. 111: 1475-86. PMID 17274605 DOI: 10.1021/Jp065455A |
0.703 |
|
2007 |
Ge Y, Gordon MS, Battaglia F, Fox RO. Theoretical study of the pyrolysis of methyltrichlorosilane in the gas phase. 1. Thermodynamics. The Journal of Physical Chemistry. A. 111: 1462-74. PMID 17274604 DOI: 10.1021/Jp065453Q |
0.696 |
|
2006 |
Ge Y, Olsen K, Kaiser RI, Head JD. The potential energy surface of the H2O2 system Aip Conference Proceedings. 855: 253-259. DOI: 10.1063/1.2359563 |
0.608 |
|
2005 |
Ge Y, Head JD. Ligand effects on SixLy cluster structures with L = H and F Molecular Physics. 103: 1035-1045. DOI: 10.1080/00268970512331339332 |
0.612 |
|
2004 |
Ge Y, Head JD. Global optimization of H-passivated Si clusters at the Ab initio level via the GAM1 semiempirical method Journal of Physical Chemistry B. 108: 6025-6034. DOI: 10.1021/Jp049949O |
0.641 |
|
2004 |
Ge Y, Head JD. Fast global optimization of SixHy clusters: New mutation operators in the cluster genetic algorithm Chemical Physics Letters. 398: 107-112. DOI: 10.1016/J.Cplett.2004.09.040 |
0.607 |
|
2003 |
Ge Y, Head JD. Global Optimization of SixHy at the Ab Initio Level via an Iteratively Parametrized Semiempirical Method International Journal of Quantum Chemistry. 95: 617-626. DOI: 10.1002/Qua.10630 |
0.634 |
|
2002 |
Ge Y. Global Optimization of H-Passivated Si Clusters with a Genetic Algorithm Journal of Physical Chemistry B. 106: 6997-7004. DOI: 10.1021/Jp020074S |
0.424 |
|
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