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	1.	Towards a density functional treatment of chemical reactions in complex media. [electronic resource] by Berard, D R Wei, D Salahub, D R Producer: 19980115 In: Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing p. 51-61 Availability: No items available. Save to lists Add to cart (remove)
	2.	Conformational dynamics of an alanine dipeptide analog: an ab initio molecular dynamics study. [electronic resource] by Wei, D Guo, H Salahub, D R Producer: 20040809 In: Physical review. E, Statistical, nonlinear, and soft matter physics vol. 64 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Ni on the CeO₂(110) and (100) surfaces: adsorption vs. substitution effects on the electronic and geometric structures and oxygen vacancies. [electronic resource] by Li, W Q Srinivasan, S Goverapet Salahub, D R Heine, T Producer: 20170111 In: Physical chemistry chemical physics : PCCP vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Structure, dynamics, and energetics of lysobisphosphatidic acid (LBPA) isomers. [electronic resource] by Goursot, A Mineva, T Bissig, C Gruenberg, J Salahub, D R Producer: 20110309 In: The journal of physical chemistry. B vol. 114 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	A density functional study of the hydrogen-bond network within the HIV-1 protease catalytic site cleft. [electronic resource] by Sirois, S Proynov, E I Truchon, J-F Tsoukas, C M Salahub, D R Producer: 20040210 In: Journal of computational chemistry vol. 24 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Contribution of high-energy conformations to NMR chemical shifts, a DFT-BOMD study. [electronic resource] by Goursot, A Mineva, T Vásquez-Pérez, J M Calaminici, P Köster, A M Salahub, D R Producer: 20130604 In: Physical chemistry chemical physics : PCCP vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Density functional theory-based conformational analysis of a phospholipid molecule (dimyristoyl phosphatidylcholine). [electronic resource] by Krishnamurty, S Stefanov, M Mineva, T Bégu, S Devoisselle, J M Goursot, A Zhu, R Salahub, D R Producer: 20081224 In: The journal of physical chemistry. B vol. 112 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)