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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: slipchenko l. J Chem Phys. 2020 Apr 21;152(15):154102. doi: 10.1063/5.0005188. J Chem Phys. 2020. PMID: 32321259
The binding of Ag+ and Au+ to ethene.
Barnett NJ, Slipchenko LV, Gordon MS. Barnett NJ, et al. J Phys Chem A. 2009 Jul 2;113(26):7474-81. doi: 10.1021/jp900372d. J Phys Chem A. 2009. PMID: 19320464
Accurate methods for large molecular systems.
Gordon MS, Mullin JM, Pruitt SR, Roskop LB, Slipchenko LV, Boatz JA. Gordon MS, et al. J Phys Chem B. 2009 Jul 23;113(29):9646-63. doi: 10.1021/jp811519x. J Phys Chem B. 2009. PMID: 19368406
83 results