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Page 1
Quantitatively probing the Al distribution in zeolites.
Vjunov A, Fulton JL, Huthwelker T, Pin S, Mei D, Schenter GK, Govind N, Camaioni DM, Hu JZ, Lercher JA. Vjunov A, et al. Among authors: govind n. J Am Chem Soc. 2014 Jun 11;136(23):8296-306. doi: 10.1021/ja501361v. Epub 2014 Jun 2. J Am Chem Soc. 2014. PMID: 24815517
Comprehensive Experimental and Computational Spectroscopic Study of Hexacyanoferrate Complexes in Water: From Infrared to X-ray Wavelengths.
Ross M, Andersen A, Fox ZW, Zhang Y, Hong K, Lee JH, Cordones A, March AM, Doumy G, Southworth SH, Marcus MA, Schoenlein RW, Mukamel S, Govind N, Khalil M. Ross M, et al. Among authors: govind n. J Phys Chem B. 2018 May 17;122(19):5075-5086. doi: 10.1021/acs.jpcb.7b12532. Epub 2018 May 9. J Phys Chem B. 2018. PMID: 29613798 Free article.
NWChem: Past, present, and future.
Aprà E, Bylaska EJ, de Jong WA, Govind N, Kowalski K, Straatsma TP, Valiev M, van Dam HJJ, Alexeev Y, Anchell J, Anisimov V, Aquino FW, Atta-Fynn R, Autschbach J, Bauman NP, Becca JC, Bernholdt DE, Bhaskaran-Nair K, Bogatko S, Borowski P, Boschen J, Brabec J, Bruner A, Cauët E, Chen Y, Chuev GN, Cramer CJ, Daily J, Deegan MJO, Dunning TH Jr, Dupuis M, Dyall KG, Fann GI, Fischer SA, Fonari A, Früchtl H, Gagliardi L, Garza J, Gawande N, Ghosh S, Glaesemann K, Götz AW, Hammond J, Helms V, Hermes ED, Hirao K, Hirata S, Jacquelin M, Jensen L, Johnson BG, Jónsson H, Kendall RA, Klemm M, Kobayashi R, Konkov V, Krishnamoorthy S, Krishnan M, Lin Z, Lins RD, Littlefield RJ, Logsdail AJ, Lopata K, Ma W, Marenich AV, Martin Del Campo J, Mejia-Rodriguez D, Moore JE, Mullin JM, Nakajima T, Nascimento DR, Nichols JA, Nichols PJ, Nieplocha J, Otero-de-la-Roza A, Palmer B, Panyala A, Pirojsirikul T, Peng B, Peverati R, Pittner J, Pollack L, Richard RM, Sadayappan P, Schatz GC, Shelton WA, Silverstein DW, Smith DMA, Soares TA, Song D, Swart M, Taylor HL, Thomas GS, Tipparaju V, Truhlar DG, Tsemekhman K, Van Voorhis T, Vázquez-Mayagoitia Á, Verma P, Villa O, Vishnu A, Vogiatzis KD, Wang D, We… See abstract for full author list ➔ Aprà E, et al. Among authors: govind n. J Chem Phys. 2020 May 14;152(18):184102. doi: 10.1063/5.0004997. J Chem Phys. 2020. PMID: 32414274 Free article.
198 results