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JCC
2006

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Transition metal-boron complexes BnM: From bowls (n = 8-14) to tires (n = 14)

14 years 9 months ago

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Si-Dian Li, Chang-Qing Miao, Jin-Chang Guo, Guang-...

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JCC
2000

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Stabilization in neutral bicyclic sulfoxide compounds

14 years 9 months ago

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: Density Functional Theory (DFT) calculations at the B3LYP/6-31+G

Redouan El-Bergmi, José Antonio Dobado Jime...

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JCC
2006

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Comparison of implicit solvent models for the simulation of protein-surface interactions

14 years 9 months ago

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Abstract: Empirical force field-based molecular simulations can provide valuable atomistic-level insights into protein

Yu Sun, Robert A. Latour

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JCC
2006

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A comparative theoretical study of dipeptide solvation in water

14 years 9 months ago

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: Molecular dynamics studies have been performed on the zwitterionic form of the dipeptide glycine

Håkan W. Hugosson, Alessandro Laio, Patrick ...

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JCC
2006

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On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes

14 years 9 months ago

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: Based on our previous study for the O2 binding of the Fe

Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakat...

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