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Journal of Computational Chemistry|December 4, 2003
Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structuresMichael Feig, Alexey Onufriev, Michael S Lee, et al.Journal of Computational Chemistry|December 4, 2003
On the flexibility of beta-peptidesTamás Beke, Imre G Csizmadia, András PerczelJournal of Computational Chemistry|January 22, 2004
Continuous medium theory for nonequilibrium solvation: I. How to correctly evaluate solvation free energy of nonequilibriumXiang-Yuan Li, Ke-Xiang FuJournal of Computational Chemistry|January 22, 2004
An AM1 semiempirical study of host-guest complexation in hemicarcerand complexesMichael J Liddell, Davor Margetic, Anthony S Mitchell, et al.Journal of Computational Chemistry|January 22, 2004
Vibrational center-ligand couplings in transition metal complexesJohannes Neugebauer, Markus ReiherJournal of Computational Chemistry|January 22, 2004
A computational study of the role of hydrogen bonds in SN1 and E1 reactionsShinichi Yamabe, Noriko TsuchidaJournal of Computational Chemistry|December 30, 2003
Isomers of C20: an energy profile IIIJennifer I Chavez, Maira M Carrillo, Kyle A BeranJournal of Computational Chemistry|December 30, 2003
Time-reversible always stable predictor-corrector method for molecular dynamics of polarizable moleculesJirí KolafaJournal of Computational Chemistry|December 30, 2003
A simple computational scheme for obtaining localized bonding schemes and their weights from a CASSCF wave functionVinzenz BachlerJournal of Computational Chemistry|December 30, 2003
A finite B-spline basis set for accurate diatomic molecule calculationsA N Artemyev, E V Ludeña, V V Karasiev, et al.Pageof 598