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Prachi Sharma, Ph.D. - Publications

Affiliations: 
2015-2020 Chemistry University of Minnesota, Twin Cities, Minneapolis, MN 
 2021- Chemistry University of Washington, Seattle, Seattle, WA 
Area:
Computational chemistry
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14 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Li Manni G, Fdez Galván I, Alavi A, Aleotti F, Aquilante F, Autschbach J, Avagliano D, Baiardi A, Bao JJ, Battaglia S, Birnoschi L, Blanco-González A, Bokarev SI, Broer R, Cacciari R, ... ... Sharma P, et al. The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry. Journal of Chemical Theory and Computation. PMID 37216210 DOI: 10.1021/acs.jctc.3c00182  0.655
2022 Sharma P, Jenkins AJ, Scalmani G, Frisch MJ, Truhlar DG, Gagliardi L, Li X. Exact-Two-Component Multiconfiguration Pair-Density Functional Theory. Journal of Chemical Theory and Computation. PMID 35384665 DOI: 10.1021/acs.jctc.2c00062  0.689
2021 Lachowicz A, Perez EH, Shuman NS, Ard SG, Viggiano AA, Armentrout PB, Goings JJ, Sharma P, Li X, Johnson MA. Determination of the SmO bond energy by threshold photodissociation of the cryogenically cooled ion. The Journal of Chemical Physics. 155: 174303. PMID 34742201 DOI: 10.1063/5.0068734  0.386
2021 Ciborowski SM, Mitra A, Harris RM, Liu G, Sharma P, Khetrapal N, Blankenhorn M, Gagliardi L, Bowen KH. Metal-Metal Bonding in Actinide Dimers: U and U. Journal of the American Chemical Society. PMID 34609860 DOI: 10.1021/jacs.1c06417  0.417
2021 Sharma P, Bao JJ, Truhlar DG, Gagliardi L. Multiconfiguration Pair-Density Functional Theory. Annual Review of Physical Chemistry. 72: 541-564. PMID 33878898 DOI: 10.1146/annurev-physchem-090419-043839  0.567
2020 Sharma P, Truhlar DG, Gagliardi L. Magnetic Coupling in a Tris-hydroxo-bridged Chromium Dimer Occurs Through Ligand Mediated Superexchange in Conjunction with Through- Space Coupling. Journal of the American Chemical Society. PMID 32875795 DOI: 10.1021/Jacs.0C06399  0.513
2019 Fernández Galván I, Vacher M, Alavi A, Angeli C, Aquilante F, Autschbach J, Bao JJ, Bokarev SI, Bogdanov NA, Carlson RK, Chibotaru LF, Creutzberg J, Dattani N, Delcey MG, Dong SS, ... ... Sharma P, et al. OpenMolcas: From source code to insight. Journal of Chemical Theory and Computation. PMID 31509407 DOI: 10.1021/Acs.Jctc.9B00532  0.7
2019 Sharma P, Pahls DR, Ramirez BL, Lu CC, Gagliardi L. Multiple Bonds in Uranium-Transition Metal Complexes. Inorganic Chemistry. PMID 31329432 DOI: 10.1021/Acs.Inorgchem.9B01264  0.462
2019 Ramirez BL, Sharma P, Eisenhart RJ, Gagliardi L, Lu CC. Bimetallic nickel-lutetium complexes: tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment. Chemical Science. 10: 3375-3384. PMID 30996926 DOI: 10.1039/C8Sc04712J  0.356
2019 Sharma P, Bernales V, Knecht S, Truhlar DG, Gagliardi L. Density matrix renormalization group pair-density functional theory (DMRG-PDFT): singlet-triplet gaps in polyacenes and polyacetylenes. Chemical Science. 10: 1716-1723. PMID 30842836 DOI: 10.1039/C8Sc03569E  0.702
2018 Sharma P, Bernales V, Truhlar DG, Gagliardi L. Valence ππ* Excitations in Benzene Studied by Multiconfiguration Pair-Density Functional Theory. The Journal of Physical Chemistry Letters. PMID 30540476 DOI: 10.1021/Acs.Jpclett.8B03277  0.706
2018 Sharma P, Truhlar DG, Gagliardi L. Publisher's Note: "Multiconfiguration pair-density functional theory investigation of the electronic spectrum of MnO" [J. Chem. Phys. 148, 124305 (2018)]. The Journal of Chemical Physics. 148: 169901. PMID 29716207 DOI: 10.1063/1.5036528  0.571
2018 Sharma P, Truhlar DG, Gagliardi L. Multiconfiguration pair-density functional theory investigation of the electronic spectrum of MnO. The Journal of Chemical Physics. 148: 124305. PMID 29604854 DOI: 10.1063/1.5021185  0.587
2018 Sharma P, Truhlar DG, Gagliardi L. Active Space Dependence in Multiconfiguration Pair-Density Functional Theory. Journal of Chemical Theory and Computation. PMID 29301088 DOI: 10.1021/Acs.Jctc.7B01052  0.568
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