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Journal of Computational Chemistry|March 21, 2008
Nonadditive effects in ternary H2-cation-PAH systemsAlexander G DonchevJournal of Computational Chemistry|March 21, 2008
Time-dependent density functional theory study on hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile in methanolGuang-Jiu Zhao, Ke-Li HanJournal of Computational Chemistry|March 28, 2008
Ab initio protein structure prediction with force field parameters derived from water-phase quantum chemical calculationDaisuke Katagiri, Hideyoshi Fuji, Saburo Neya, et al.Journal of Computational Chemistry|March 28, 2008
Theoretical studies on pyridoxal 5'-phosphate-dependent transamination of alpha-amino acidsRong-Zhen Liao, Wan-Jian Ding, Jian-Guo Yu, et al.Journal of Computational Chemistry|March 28, 2008
Simulations of proteins with inhomogeneous degrees of freedom: The effect of thermostatsAmit Mor, Guy Ziv, Yaakov LevyJournal of Computational Chemistry|April 3, 2008
Induction correction model for rotation of two or three dihedral anglesAsbjørn Holt, Gunnar KarlstrømJournal of Computational Chemistry|January 19, 2006
A new parallel algorithm of MP2 energy calculationsKazuya Ishimura, Peter Pulay, Shigeru NagaseJournal of Computational Chemistry|March 4, 2006
Allostery of the two-state model of hemoglobin studied by ECEPP energy minimizationYasunobu SenoJournal of Computational Chemistry|February 14, 2006
Are calculated enthalpies of formation sometimes more reliable than experimental? A test on alkyl substituted benzoic acidsStanislav Böhm, Otto ExnerJournal of Computational Chemistry|February 14, 2006
Singular value decomposition of torsional angles of analogs of the dopamine reuptake inhibitor GBR 12909Anna Fiorentino, Deepangi Pandit, Kathleen M Gilbert, et al.Pageof 598