Jesse J. Lutz - Search Results

Year	Number of Results
2008	2
2009	1
2013	1
2014	1
2016	1
2017	1
2018	2
2020	1
2022	1
2023	1
2024	0

1

Deposition products predicted from conceptual DFT: The hydrolysis reactions of MoF6, WF6, and UF6.

Lutz JJ, Jensen DS, Hubbard JA. Lutz JJ, et al. J Chem Phys. 2023 Nov 14;159(18):184305. doi: 10.1063/5.0176552. J Chem Phys. 2023. PMID: 37962449

2

Recent developments in the general atomic and molecular electronic structure system.

Barca GMJ, Bertoni C, Carrington L, Datta D, De Silva N, Deustua JE, Fedorov DG, Gour JR, Gunina AO, Guidez E, Harville T, Irle S, Ivanic J, Kowalski K, Leang SS, Li H, Li W, Lutz JJ, Magoulas I, Mato J, Mironov V, Nakata H, Pham BQ, Piecuch P, Poole D, Pruitt SR, Rendell AP, Roskop LB, Ruedenberg K, Sattasathuchana T, Schmidt MW, Shen J, Slipchenko L, Sosonkina M, Sundriyal V, Tiwari A, Galvez Vallejo JL, Westheimer B, Włoch M, Xu P, Zahariev F, Gordon MS. Barca GMJ, et al. Among authors: lutz jj. J Chem Phys. 2020 Apr 21;152(15):154102. doi: 10.1063/5.0005188. J Chem Phys. 2020. PMID: 32321259

3

Single-reference coupled cluster theory for multi-reference problems.

Margraf JT, Perera A, Lutz JJ, Bartlett RJ. Margraf JT, et al. Among authors: lutz jj. J Chem Phys. 2017 Nov 14;147(18):184101. doi: 10.1063/1.5003128. J Chem Phys. 2017. PMID: 29141413

4

A theoretical investigation of the hydrolysis of uranium hexafluoride: the initiation mechanism and vibrational spectroscopy.

Lutz JJ, Byrd JN, Lotrich VF, Jensen DS, Zádor J, Hubbard JA. Lutz JJ, et al. Phys Chem Chem Phys. 2022 Apr 20;24(16):9634-9647. doi: 10.1039/d1cp05268c. Phys Chem Chem Phys. 2022. PMID: 35404371

5

Reference dependence of the two-determinant coupled-cluster method for triplet and open-shell singlet states of biradical molecules.

Lutz JJ, Nooijen M, Perera A, Bartlett RJ. Lutz JJ, et al. J Chem Phys. 2018 Apr 28;148(16):164102. doi: 10.1063/1.5025170. J Chem Phys. 2018. PMID: 29716199

6

Electronic structure of the S1 state in methylcobalamin: insight from CASSCF/MC-XQDPT2, EOM-CCSD, and TD-DFT calculations.

Kornobis K, Kumar N, Lodowski P, Jaworska M, Piecuch P, Lutz JJ, Wong BM, Kozlowski PM. Kornobis K, et al. Among authors: lutz jj. J Comput Chem. 2013 May 5;34(12):987-1004. doi: 10.1002/jcc.23204. Epub 2013 Jan 19. J Comput Chem. 2013. PMID: 23335227

7

Valence and charge-transfer optical properties for some Si_nC_m (m, n ≤ 12) clusters: Comparing TD-DFT, complete-basis-limit EOMCC, and benchmarks from spectroscopy.

Lutz JJ, Duan XF, Ranasinghe DS, Jin Y, Margraf JT, Perera A, Burggraf LW, Bartlett RJ. Lutz JJ, et al. J Chem Phys. 2018 May 7;148(17):174309. doi: 10.1063/1.5022701. J Chem Phys. 2018. PMID: 29739206

8

Predictive coupled-cluster isomer orderings for some SinCm (m, n ≤ 12) clusters: A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks.

Byrd JN, Lutz JJ, Jin Y, Ranasinghe DS, Montgomery JA Jr, Perera A, Duan XF, Burggraf LW, Sanders BA, Bartlett RJ. Byrd JN, et al. Among authors: lutz jj. J Chem Phys. 2016 Jul 14;145(2):024312. doi: 10.1063/1.4955196. J Chem Phys. 2016. PMID: 27421410

9

Extrapolating potential energy surfaces by scaling electron correlation: isomerization of bicyclobutane to butadiene.

Lutz JJ, Piecuch P. Lutz JJ, et al. J Chem Phys. 2008 Apr 21;128(15):154116. doi: 10.1063/1.2904560. J Chem Phys. 2008. PMID: 18433199

10

Thermochemical kinetics for multireference systems: addition reactions of ozone.

Zhao Y, Tishchenko O, Gour JR, Li W, Lutz JJ, Piecuch P, Truhlar DG. Zhao Y, et al. Among authors: lutz jj. J Phys Chem A. 2009 May 14;113(19):5786-99. doi: 10.1021/jp811054n. J Phys Chem A. 2009. PMID: 19374412

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