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Advances in methods and algorithms in a modern quantum chemistry program package.
Shao Y, Molnar LF, Jung Y, Kussmann J, Ochsenfeld C, Brown ST, Gilbert AT, Slipchenko LV, Levchenko SV, O'Neill DP, DiStasio RA Jr, Lochan RC, Wang T, Beran GJ, Besley NA, Herbert JM, Lin CY, Van Voorhis T, Chien SH, Sodt A, Steele RP, Rassolov VA, Maslen PE, Korambath PP, Adamson RD, Austin B, Baker J, Byrd EF, Dachsel H, Doerksen RJ, Dreuw A, Dunietz BD, Dutoi AD, Furlani TR, Gwaltney SR, Heyden A, Hirata S, Hsu CP, Kedziora G, Khalliulin RZ, Klunzinger P, Lee AM, Lee MS, Liang W, Lotan I, Nair N, Peters B, Proynov EI, Pieniazek PA, Rhee YM, Ritchie J, Rosta E, Sherrill CD, Simmonett AC, Subotnik JE, Woodcock HL 3rd, Zhang W, Bell AT, Chakraborty AK, Chipman DM, Keil FJ, Warshel A, Hehre WJ, Schaefer HF 3rd, Kong J, Krylov AI, Gill PM, Head-Gordon M. Shao Y, et al. Among authors: chipman dm. Phys Chem Chem Phys. 2006 Jul 21;8(27):3172-91. doi: 10.1039/b517914a. Epub 2006 Jun 12. Phys Chem Chem Phys. 2006. PMID: 16902710 Review.
Role of water in electron-initiated processes and radical chemistry: issues and scientific advances.
Garrett BC, Dixon DA, Camaioni DM, Chipman DM, Johnson MA, Jonah CD, Kimmel GA, Miller JH, Rescigno TN, Rossky PJ, Xantheas SS, Colson SD, Laufer AH, Ray D, Barbara PF, Bartels DM, Becker KH, Bowen KH Jr, Bradforth SE, Carmichael I, Coe JV, Corrales LR, Cowin JP, Dupuis M, Eisenthal KB, Franz JA, Gutowski MS, Jordan KD, Kay BD, Laverne JA, Lymar SV, Madey TE, McCurdy CW, Meisel D, Mukamel S, Nilsson AR, Orlando TM, Petrik NG, Pimblott SM, Rustad JR, Schenter GK, Singer SJ, Tokmakoff A, Wang LS, Wettig C, Zwier TS. Garrett BC, et al. Among authors: chipman dm. Chem Rev. 2005 Jan;105(1):355-90. doi: 10.1021/cr030453x. Chem Rev. 2005. PMID: 15720157 Review. No abstract available.
105 results