Harrison RJ - Search Results

1

Structural Analysis of the Complexation of Uranyl, Neptunyl, Plutonyl, and Americyl with Cyclic Imide Dioximes.

Penchoff DA, Peterson CC, Camden JP, Bradshaw JA, Auxier JD 2nd, Schweitzer GK, Jenkins DM, Harrison RJ, Hall HL. Penchoff DA, et al. Among authors: harrison rj. ACS Omega. 2018 Oct 24;3(10):13984-13993. doi: 10.1021/acsomega.8b02068. eCollection 2018 Oct 31. ACS Omega. 2018. PMID: 31458094 Free PMC article.

2

Structural Characteristics, Population Analysis, and Binding Energies of [An(NO₃)]²⁺ (with An = Ac to Lr).

Penchoff DA, Peterson CC, Quint MS, Auxier JD 2nd, Schweitzer GK, Jenkins DM, Harrison RJ, Hall HL. Penchoff DA, et al. Among authors: harrison rj. ACS Omega. 2018 Oct 25;3(10):14127-14143. doi: 10.1021/acsomega.8b01800. eCollection 2018 Oct 31. ACS Omega. 2018. PMID: 31458106 Free PMC article.

3

Direct Determination of Optimal Real-Space Orbitals for Correlated Electronic Structure of Molecules.

Valeev EF, Harrison RJ, Holmes AA, Peterson CC, Penchoff DA. Valeev EF, et al. Among authors: harrison rj. J Chem Theory Comput. 2023 Oct 24;19(20):7230-7241. doi: 10.1021/acs.jctc.3c00732. Epub 2023 Oct 4. J Chem Theory Comput. 2023. PMID: 37791808

4

Magnetoelectric coupling in 4,4'-stilbenedinitrene.

Günaydın-Şen Ö, Chen P, Fosso-Tande J, Allen TL, Cherian J, Tokumoto T, Lahti PM, McGill S, Harrison RJ, Musfeldt JL. Günaydın-Şen Ö, et al. Among authors: harrison rj. J Chem Phys. 2013 May 28;138(20):204716. doi: 10.1063/1.4807053. J Chem Phys. 2013. PMID: 23742509

5

Communication: Manipulating the singlet-triplet equilibrium in organic biradical materials.

Günaydın-Sen O, Fosso-Tande J, Chen P, White JL, Allen TL, Cherian J, Tokumoto T, Lahti PM, McGill S, Harrison RJ, Musfeldt JL. Günaydın-Sen O, et al. Among authors: harrison rj. J Chem Phys. 2011 Dec 28;135(24):241101. doi: 10.1063/1.3672101. J Chem Phys. 2011. PMID: 22225135

6

Tribute to Thom H. Dunning, Jr.

Harrison RJ, Wilson AK. Harrison RJ, et al. J Phys Chem A. 2007 Nov 8;111(44):11167-84. doi: 10.1021/jp077567n. J Phys Chem A. 2007. PMID: 17973452 No abstract available.

7

Dirac-Fock calculations on molecules in an adaptive multiwavelet basis.

Anderson J, Sundahl B, Harrison R, Beylkin G. Anderson J, et al. J Chem Phys. 2019 Dec 21;151(23):234112. doi: 10.1063/1.5128908. J Chem Phys. 2019. PMID: 31864249

8

Multiresolution quantum chemistry: basic theory and initial applications.

Harrison RJ, Fann GI, Yanai T, Gan Z, Beylkin G. Harrison RJ, et al. J Chem Phys. 2004 Dec 15;121(23):11587-98. doi: 10.1063/1.1791051. J Chem Phys. 2004. PMID: 15634124

9

Response to "Comment on 'Rethinking first-principles electron transport theories with projection operators: the problems caused by partitioning the basis set'" [J. Chem. Phys. 140, 177103 (2014)].

Reuter MG, Harrison RJ. Reuter MG, et al. Among authors: harrison rj. J Chem Phys. 2014 May 7;140(17):177104. doi: 10.1063/1.4873698. J Chem Phys. 2014. PMID: 24811672

10

Multiresolution quantum chemistry in multiwavelet bases: Analytic derivatives for Hartree-Fock and density functional theory.

Yanai T, Fann GI, Gan Z, Harrison RJ, Beylkin G. Yanai T, et al. Among authors: harrison rj. J Chem Phys. 2004 Aug 15;121(7):2866-76. doi: 10.1063/1.1768161. J Chem Phys. 2004. PMID: 15291596

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