Year |
Citation |
Score |
2016 |
Elsamra RMI, Jalan A, Buras ZJ, Middaugh JE, Green WH. Temperature- and Pressure-Dependent Kinetics of CH2OO + CH3COCH3and CH2OO + CH3CHO: Direct Measurements and Theoretical Analysis International Journal of Chemical Kinetics. 48: 474-488. DOI: 10.1002/Kin.21007 |
0.678 |
|
2014 |
Buras ZJ, Elsamra RM, Jalan A, Middaugh JE, Green WH. Direct kinetic measurements of reactions between the simplest Criegee intermediate CH2OO and alkenes. The Journal of Physical Chemistry. A. 118: 1997-2006. PMID 24559303 DOI: 10.1021/Jp4118985 |
0.679 |
|
2013 |
Yang KR, Jalan A, Green WH, Truhlar DG. Which Ab Initio Wave Function Methods Are Adequate for Quantitative Calculations of the Energies of Biradicals? The Performance of Coupled-Cluster and Multi-Reference Methods Along a Single-Bond Dissociation Coordinate. Journal of Chemical Theory and Computation. 9: 418-431. PMID 26589044 DOI: 10.1021/Ct3009528 |
0.526 |
|
2013 |
Jalan A, Allen JW, Green WH. Chemically activated formation of organic acids in reactions of the Criegee intermediate with aldehydes and ketones. Physical Chemistry Chemical Physics : Pccp. 15: 16841-52. PMID 23958859 DOI: 10.1039/C3Cp52598H |
0.708 |
|
2013 |
Jalan A, Alecu IM, Meana-Pañeda R, Aguilera-Iparraguirre J, Yang KR, Merchant SS, Truhlar DG, Green WH. New pathways for formation of acids and carbonyl products in low-temperature oxidation: the Korcek decomposition of γ-ketohydroperoxides. Journal of the American Chemical Society. 135: 11100-14. PMID 23862563 DOI: 10.1021/Ja4034439 |
0.623 |
|
2013 |
Jalan A, West RH, Green WH. An extensible framework for capturing solvent effects in computer generated kinetic models. The Journal of Physical Chemistry. B. 117: 2955-70. PMID 23301874 DOI: 10.1021/Jp310824H |
0.702 |
|
2013 |
Yang KR, Jalan A, Green WH, Truhlar DG. Which Ab initio wave function methods are adequate for quantitative calculations of the energies of biradicals? the performance of coupled-cluster and multi-reference methods along a single-bond dissociation coordinate Journal of Chemical Theory and Computation. 9: 418-431. DOI: 10.1021/ct3009528 |
0.429 |
|
2013 |
Jalan A, Green WH. From electrons to engines: Kinetic modeling of low-temperature hydrocarbon oxidation and applications in engine and atmospheric chemistry Computational Molecular Science and Engineering Forum 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 57-58. |
0.43 |
|
2012 |
Parmar RD, Jalan A, Shekhawat D, Green WH, Peppley BA, Karan K. Multi-physics modeling of auto-thermal diesel surrogate reforming Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings. |
0.399 |
|
2011 |
West RH, Jalan A, Green WH. Multiphysics model of diesel injector deposit formation 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings. |
0.416 |
|
2011 |
Jalan A, West RH, Green WH. Progress towards capturing solvent effects in automatic mechanism generation Aiche Annual Meeting, Conference Proceedings. |
0.377 |
|
2010 |
Jalan A, Ashcraft RW, West RH, Green WH. Predicting solvation energies for kinetic modeling Annual Reports On the Progress of Chemistry - Section C. 106: 211-258. DOI: 10.1039/b811056p |
0.653 |
|
2010 |
West RH, Jalan A, Green WH. Building models of liquid phase kinetics and separation: Hydrocarbon autoxidation Aiche Annual Meeting, Conference Proceedings. |
0.476 |
|
2009 |
West RH, Jalan A, Green WH. Building kinetic models for the liquid phase: Hydrocarbon autoxidation Aiche Annual Meeting, Conference Proceedings. |
0.484 |
|
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