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What Is the Price of Open-Source Software?
Krylov AI, Herbert JM, Furche F, Head-Gordon M, Knowles PJ, Lindh R, Manby FR, Pulay P, Skylaris CK, Werner HJ. Krylov AI, et al. Among authors: werner hj. J Phys Chem Lett. 2015 Jul 16;6(14):2751-4. doi: 10.1021/acs.jpclett.5b01258. J Phys Chem Lett. 2015. PMID: 26266858 No abstract available.
High-accuracy computation of reaction barriers in enzymes.
Claeyssens F, Harvey JN, Manby FR, Mata RA, Mulholland AJ, Ranaghan KE, Schütz M, Thiel S, Thiel W, Werner HJ. Claeyssens F, et al. Among authors: werner hj. Angew Chem Int Ed Engl. 2006 Oct 20;45(41):6856-9. doi: 10.1002/anie.200602711. Angew Chem Int Ed Engl. 2006. PMID: 16991165 No abstract available.
General orbital invariant MP2-F12 theory.
Werner HJ, Adler TB, Manby FR. Werner HJ, et al. J Chem Phys. 2007 Apr 28;126(16):164102. doi: 10.1063/1.2712434. J Chem Phys. 2007. PMID: 17477584
134 results