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발행년	- (예 : 2010-2015)

Stochastic Neural Network Approach for Learning High-Dimensional Free Energy Surfaces

Academic Journal

Schneider, E.; Dai, L.; Drechsel-Grau, C.; Tuckerman, M.E.; Topper, R.Q.

In: Physical Review Letters. (Physical Review Letters, 11 October 2017, 119(15))

Full Text (ECC - 개별구독 전자저널) Web of Science JCR 저널정보 Scopus Find it@PNU

The temperature dependence of the symmetry factor for a model Fe3+(aq)/Fe2+(aq) redox half reaction

Academic Journal

Drechsel-Grau, C.; Sprik, M.

In: Molecular Physics. (Molecular Physics, 17 September 2015, 113(17-18):2463-2475)

Web of Science JCR 저널정보 Scopus Find it@PNU

Exceptional isotopic-substitution effect: Breakdown of collective proton tunneling in hexagonal ice due to partial deuteration

Academic Journal

Drechsel-Grau, C.; Marx, D.

In: Angewandte Chemie - International Edition. (Angewandte Chemie - International Edition, 6 October 2014, 53(41):10937-10940)

Full Text (Wiley Journals) Full Text (Wiley-DB) Web of Science JCR 저널정보 Scopus Find it@PNU

Quantum simulation of collective proton tunneling in hexagonal ice crystals

Academic Journal

Drechsel-Grau, C.; Marx, D.

In: Physical Review Letters. (Physical Review Letters, 8 April 2014, 112(14))

Full Text (ECC - 개별구독 전자저널) Web of Science JCR 저널정보 Scopus Find it@PNU

Activation energy for a model ferrous-ferric half reaction from transition path sampling

Academic Journal

Drechsel-Grau, C.; Sprik, M.

In: Journal of Chemical Physics. (Journal of Chemical Physics, 21 January 2012, 136(3))

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Collective proton transfer in ordinary ice: Local environments, temperature dependence and deuteration effects

Academic Journal

Drechsel-Grau, C.; Marx, D.

In: Physical Chemistry Chemical Physics. (Physical Chemistry Chemical Physics, 2017, 19(4):2623-2635)

Full Text (RSC Gold) Web of Science JCR 저널정보 Scopus Find it@PNU

Discussion: Theoretical horizons and calculation

Conference

Ceriotti, M.; Drechsel-Grau, C.; Walewski, L.; Fernandez-Alonso, F.; Krzystyniak, M.; Sturniolo, S.; Greaves, N.; Major, D.; Salzmann, C.; Parmentier, A.; Senesi, R.; Wikfeltd, T.

In: Journal of Physics: Conference Series. (Journal of Physics: Conference Series, 2014, 571(1))

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Discussion: Nuclear quantum dynamics - Protons and beyond

Conference

Andreani, C.; Parmentier, A.; Romanelli, G.; Ceriotti, M.; Chass, G.; Drechsel-Grau, C.; Walewski, L.; Fernandez-Alonso, F.; Krzystyniak, M.; Refson, K.; Seel, A.; Greaves, N.; Gidopolous, N.; Wiles, T.; Reiter, G.F.

In: Journal of Physics: Conference Series. (Journal of Physics: Conference Series, 2014, 571(1))

Full Text (IOP Science) Full Text (IOP) Full Text (ProQuest Central) Open Access (EBSCO) Open Access (IOP) Scopus Find it@PNU

Tunnelling in chiral water clusters: Protons in concert

Academic Journal

Drechsel-Grau, C.; Marx, D.

In: Nature Physics. (Nature Physics, 6 March 2015, 11(3):216-218)

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