East ALL - Search Results

1

Challenges in predicting Δ_rxnG in solution: The chelate effect.

Mukadam AA, East ALL. Mukadam AA, et al. Among authors: east all. J Chem Phys. 2022 Jul 21;157(3):034109. doi: 10.1063/5.0097291. J Chem Phys. 2022. PMID: 35868919

2

Comment on "Local, solvation pressures and conformational changes in ethylenediamine aqueous solutions probed using Raman spectroscopy" by M. Cáceres, A. Lobato, N. J. Mendoza, L. J. Bonales and V. G. Baonza, Phys. Chem. Chem. Phys., 2016, 18, 26192.

Mukadam AA , Aravindakshan NP , East ALL . Mukadam AA , et al. Among authors: east all. Phys Chem Chem Phys. 2020 Apr 7;22(13):7119-7125. doi: 10.1039/c9cp06589j. Epub 2020 Mar 23. Phys Chem Chem Phys. 2020. PMID: 32202286

3

Nitrous oxide dimer: an ab initio coupled-cluster study of isomers, interconversions, and infrared fundamental bands, and experimental observation of a new fundamental for the polar isomer.

Berner GM, East AL, Afshari M, Dehghany M, Moazzen-Ahmadi N, McKellar AR. Berner GM, et al. J Chem Phys. 2009 Apr 28;130(16):164305. doi: 10.1063/1.3121224. J Chem Phys. 2009. PMID: 19405577

4

Short-range order in liquid aluminum chloride: ab initio molecular dynamics simulations and quantum-chemical calculations.

East AL, Hafner J. East AL, et al. J Phys Chem B. 2007 May 17;111(19):5316-21. doi: 10.1021/jp070517y. Epub 2007 Apr 21. J Phys Chem B. 2007. PMID: 17447811

5

Carbocation branching observed in a simulation.

East AL, Bucko T, Hafner J. East AL, et al. J Phys Chem A. 2007 Jul 12;111(27):5945-7. doi: 10.1021/jp072327t. Epub 2007 Jun 9. J Phys Chem A. 2007. PMID: 17559202

6

Comment on "On the Accuracy of the Direct Method to Calculate pK_a from Electronic Structure Calculations".

Henni A, East ALL. Henni A, et al. Among authors: east all. J Phys Chem A. 2022 Feb 3;126(4):648-649. doi: 10.1021/acs.jpca.1c09055. Epub 2022 Jan 20. J Phys Chem A. 2022. PMID: 35051330 No abstract available.

7

Femtosecond multidimensional imaging of a molecular dissociation.

Gessner O, Lee AM, Shaffer JP, Reisler H, Levchenko SV, Krylov AI, Underwood JG, Shi H, East AL, Wardlaw DM, Chrysostom ET, Hayden CC, Stolow A. Gessner O, et al. Science. 2006 Jan 13;311(5758):219-22. doi: 10.1126/science.1120779. Epub 2005 Dec 15. Science. 2006. PMID: 16357226

8

Limited ionicity in poor protic ionic liquids: Association Gibbs energies.

Klapatiuk DO, Waugh SL, Mukadam AA, East ALL. Klapatiuk DO, et al. Among authors: east all. J Chem Phys. 2023 Jan 21;158(3):034507. doi: 10.1063/5.0124900. J Chem Phys. 2023. PMID: 36681640

9

Semicontinuum (Cluster-Continuum) Modeling of Acid-Catalyzed Aqueous Reactions: Alkene Hydration.

Patel DH, East ALL. Patel DH, et al. Among authors: east all. J Phys Chem A. 2020 Oct 29;124(43):9088-9104. doi: 10.1021/acs.jpca.0c07011. Epub 2020 Oct 19. J Phys Chem A. 2020. PMID: 33074670

10

Improving the Yield and Rate of Acid-Catalyzed Deconstruction of Lignin by Mechanochemical Activation.

Patel DH, Marx D, East ALL. Patel DH, et al. Among authors: east all. Chemphyschem. 2020 Dec 14;21(24):2660-2666. doi: 10.1002/cphc.202000671. Epub 2020 Nov 23. Chemphyschem. 2020. PMID: 32845560

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