1. Frontiers in Multiscale Modeling of Photoreceptor Proteins. (13th February 2021) Authors: Mroginski, Maria‐Andrea; Adam, Suliman; Amoyal, Gil S.; Barnoy, Avishai; Bondar, Ana‐Nicoleta; Borin, Veniamin A.; Church, Jonathan R.; Domratcheva, Tatiana; Ensing, Bernd; Fanelli, Francesca; Ferré, Nicolas; Filiba, Ofer; Pedraza‐González, Laura; González, Ronald; González‐Espinoza, Cristina E.;... Journal: Photochemistry and photobiology Issue: Volume 97:Number 2(2021) Page Start: 243 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. New methods: general discussion. (8th December 2016) Authors: Angulo, Gonzalo; Astumian, Raymond Dean; Beniwal, Vijay; Bolhuis, Peter G.; Dellago, Christoph; Ellis, John; Ensing, Bernd; Glowacki, David R.; Hammes-Schiffer, Sharon; Kästner, Johannes; Lelièvre, Tony; Makri, Nancy; Manolopoulos, David; Menzl, Georg; Miller, Thomas F.; Mulholland, Adrian; Oprze... Journal: Faraday discussions Issue: Volume 195(2016) Page Start: 521 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Reactive trajectories of the Ru2+/3+ self-exchange reaction and the connection to Marcus' theory. (5th October 2016) Authors: Tiwari, Ambuj; Ensing, Bernd Journal: Faraday discussions Issue: Volume 195(2016) Page Start: 291 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Non-adiabatic reactions: general discussion. (8th December 2016) Authors: Althorpe, Stuart C.; Ananth, Nandini; Angulo, Gonzalo; Astumian, Raymond Dean; Beniwal, Vijay; Blumberger, Jochen; Bolhuis, Peter G.; Ensing, Bernd; Glowacki, David R.; Habershon, Scott; Hammes-Schiffer, Sharon; Hele, Timothy J. H.; Makri, Nancy; Manolopoulos, David E.; McKemmish, Laura K.; Mille... Journal: Faraday discussions Issue: Volume 195(2016) Page Start: 311 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. On the slowdown mechanism of water dynamics around small amphiphiles. Issue 38 (7th September 2015) Authors: Homsi Brandeburgo, Wagner; van der Post, Sietse Thijmen; Meijer, Evert Jan; Ensing, Bernd Journal: Physical chemistry chemical physics Issue: Volume 17:Issue 38(2015) Page Start: 24968 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Acidity Constant (pKa) Calculation of Large Solvated Dye Molecules: Evaluation of Two Advanced Molecular Dynamics Methods. Issue 21 (30th September 2016) Authors: De Meyer, Thierry; Ensing, Bernd; Rogge, Sven M. J.; De Clerck, Karen; Meijer, Evert Jan; Van Speybroeck, Veronique Journal: Chemphyschem Issue: Volume 17:Issue 21(2016) Page Start: 3447 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Energy barriers and mechanisms in solid–solid polymorphic transitions exhibiting cooperative motion. Issue 23 (21st April 2016) Authors: van den Ende, Joost A.; Ensing, Bernd; Cuppen, Herma M. Journal: CrystEngComm Issue: Volume 18:Issue 23(2016) Page Start: 4420 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Hydration interactions beyond the first solvation shell in aqueous phenolate solution. Issue 35 (28th August 2020) Authors: Cota, Roberto; Tiwari, Ambuj; Ensing, Bernd; Bakker, Huib J.; Woutersen, Sander Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 35(2020) Page Start: 19940 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Unraveling the mechanism of biomimetic hydrogen fuel production – a first principles molecular dynamics study. Issue 19 (18th March 2020) Authors: Puthenkalathil, Rakesh C.; Etinski, Mihajlo; Ensing, Bernd Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 19(2020) Page Start: 10447 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Designing effective solid catalysts for biomass conversion: aerobic oxidation of ethyl lactate to ethyl pyruvate. Issue 8 (29th March 2018) Authors: Zhang, Wei; Ensing, Bernd; Rothenberg, Gadi; Raveendran Shiju, N. Journal: Green chemistry Issue: Volume 20:Issue 8(2018) Page Start: 1866 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗