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Proceedings of the National Academy of Sciences of the United States of America|May 16, 2002
Structure-based design of mutant Methanococcus jannaschii tyrosyl-tRNA synthetase for incorporation of O-methyl-L-tyrosineDeqiang Zhang, Nagarajan Vaidehi, William A Goddard, et al.Journal of the American Chemical Society|March 5, 2021
Selective Activation of Propane Using Intermediates Generated during Water OxidationHaochen Zhang, Chunsong Li, Qi Lu, et al.The Journal of Chemical Physics|November 20, 2004
Hydrogen storage in LiAlH4: predictions of the crystal structures and reaction mechanisms of intermediate phases from quantum mechanicsJeung Ku Kang, Jai Young Lee, Richard P Muller, et al.The Journal of Physical Chemistry. B|July 28, 2006
Quantum mechanics calculations of the thermodynamically controlled coverage and structure of alkyl monolayers on Si(111) surfacesE Joseph Nemanick, Santiago D Solares, William A Goddard, et al.Chemmedchem|August 12, 2006
The predicted 3D structures of the human M1 muscarinic acetylcholine receptor with agonist or antagonist boundJoyce Yao-chun Peng, Nagarajan Vaidehi, Spencer E Hall, et al.The Journal of Physical Chemistry. B|July 21, 2006
Mechanisms of single-walled carbon nanotube probe-sample multistability in tapping mode AFM imagingSantiago D Solares, Maria J Esplandiu, William A Goddard, et al.Physical Chemistry Chemical Physics : PCCP|April 20, 2011
The magnetic and electronic structure of vanadyl pyrophosphate from density functional theoryMu-Jeng Cheng, Robert J Nielsen, Jamil Tahir-Kheli, et al.Inorganic Chemistry|September 2, 2017
Role of Ligand Protonation in Dihydrogen Evolution from a Pentamethylcyclopentadienyl Rhodium CatalystSamantha I Johnson, Harry B Gray, James D Blakemore, et al.Dalton Transactions (Cambridge, England : 2003)|September 14, 2017
The mechanism for catalytic hydrosilylation by bis(imino)pyridine iron olefin complexes supported by broken symmetry density functional theoryYan Choi Lam, Robert J Nielsen, William A Goddard, et al.Physical Review Letters|May 21, 2005
First-principles study of the switching mechanism of [2]catenane molecular electronic devicesYong-Hoon Kim, Seung Soon Jang, Yun Hee Jang, et al.Pageof 76