Acceleration of Inverse Molecular Design by Using Predictive Techniques

Authors: Teunissen, Jos L., De Proft, Frank, De Vleeschouwer, Freija

Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING. 59(6):2587-2599

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632682742&indx=1&recIds=ETOCRN632682742

Tuning the HOMO—LUMO Energy Gap of Small Diamondoids Using Inverse Molecular Design

Authors: Teunissen, Jos L., De Proft, Frank, De Vleeschouwer, Freija

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 13(3):1351-1365

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632707414&indx=1&recIds=ETOCRN632707414

This result is not displayed to guests.
Login for full access.

Particle on a Boron Disk: Ring Currents and Disk Aromaticity in B20^2-.

Authors: Truong Ba Tai¹, Havenith, Remco W. A.², r.w.a.havenith@rug.nl, Teunissen, Jos L.², Dok, Ahmet R.¹, Hallaert, Simon D.¹, Minh Tho Nguyen¹, minh.nguyen@chem.kuleuven.be, Ceulemans, Arnout¹, arnout.ceulemans@chem.kuleuven.be

Source: Inorganic Chemistry; 9/16/2013, Vol. 52 Issue 18, p10595-10600, 6p

Particle on a Boron Disk: Ring Currents and Disk Aromaticity in B20^2-.

Authors: Truong Ba Tai, Havenith, Remco W. A., Teunissen, Jos L., Dok, Ahmet R., Hallaert, Simon D., Minh Tho Nguyen, Ceulemans, Arnout

Source: Inorganic Chemistry; 9/16/2013, Vol. 52 Issue 18, p10595-10600, 6p

Particle on a Boron Disk: Ring Currents and Disk Aromaticity in B20^2-.

Authors: Truong Ba Tai¹, Havenith, Remco W. A.², r.w.a.havenith@rug.nl, Teunissen, Jos L.², Dok, Ahmet R.¹, Hallaert, Simon D.¹, Minh Tho Nguyen¹, minh.nguyen@chem.kuleuven.be, Ceulemans, Arnout¹, arnout.ceulemans@chem.kuleuven.be

Source: Inorganic Chemistry; 9/16/2013, Vol. 52 Issue 18, p10595-10600, 6p