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Items: 8

1.

MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry.

Olsen JMH, Bolnykh V, Meloni S, Ippoliti E, Bircher MP, Carloni P, Rothlisberger U.

J Chem Theory Comput. 2019 Jun 11;15(6):3810-3823. doi: 10.1021/acs.jctc.9b00093. Epub 2019 May 6.

PMID:
30998344
2.

Shedding Light on the Basis Set Dependence of the Minnesota Functionals: Differences Between Plane Waves, Slater Functions, and Gaussians.

Bircher MP, López-Tarifa P, Rothlisberger U.

J Chem Theory Comput. 2019 Jan 8;15(1):557-571. doi: 10.1021/acs.jctc.8b00897. Epub 2018 Dec 26.

PMID:
30521748
3.

Radical chain repair: The hydroalkylation of polysubstituted unactivated alkenes.

Povie G, Suravarapu SR, Bircher MP, Mojzes MM, Rieder S, Renaud P.

Sci Adv. 2018 Jul 20;4(7):eaat6031. doi: 10.1126/sciadv.aat6031. eCollection 2018 Jul.

4.

Exploiting Coordinate Scaling Relations To Accelerate Exact Exchange Calculations.

Bircher MP, Rothlisberger U.

J Phys Chem Lett. 2018 Jul 19;9(14):3886-3890. doi: 10.1021/acs.jpclett.8b01620. Epub 2018 Jul 2.

PMID:
29940111
5.

Plane-Wave Implementation and Performance of à-la-Carte Coulomb-Attenuated Exchange-Correlation Functionals for Predicting Optical Excitation Energies in Some Notorious Cases.

Bircher MP, Rothlisberger U.

J Chem Theory Comput. 2018 Jun 12;14(6):3184-3195. doi: 10.1021/acs.jctc.8b00069. Epub 2018 May 4.

PMID:
29660274
6.

Nonadiabatic effects in electronic and nuclear dynamics.

Bircher MP, Liberatore E, Browning NJ, Brickel S, Hofmann C, Patoz A, Unke OT, Zimmermann T, Chergui M, Hamm P, Keller U, Meuwly M, Woerner HJ, Vaníček J, Rothlisberger U.

Struct Dyn. 2018 Jan 9;4(6):061510. doi: 10.1063/1.4996816. eCollection 2017 Nov. Review.

7.

Human infrared vision is triggered by two-photon chromophore isomerization.

Palczewska G, Vinberg F, Stremplewski P, Bircher MP, Salom D, Komar K, Zhang J, Cascella M, Wojtkowski M, Kefalov VJ, Palczewski K.

Proc Natl Acad Sci U S A. 2014 Dec 16;111(50):E5445-54. doi: 10.1073/pnas.1410162111. Epub 2014 Dec 1.

8.

A quinoxaline-fused tetrathiafulvalene-based sensitizer for efficient dye-sensitized solar cells.

Amacher A, Yi C, Yang J, Bircher MP, Fu Y, Cascella M, Grätzel M, Decurtins S, Liu SX.

Chem Commun (Camb). 2014 Jun 21;50(49):6540-2. doi: 10.1039/c4cc02696a. Epub 2014 May 13.

PMID:
24825006

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