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Items where Person is "Xu-Xin"

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Number of items: 17.

2017

Ji, Ho-Il and Xu, Xin and Haile, Sossina M. (2017) Chemical surface exchange of oxygen on CeO_(2−δ) in an O_2/H_2O atmosphere. Physical Chemistry Chemical Physics, 19 (43). pp. 29287-29293. ISSN 1463-9076. http://resolver.caltech.edu/CaltechAUTHORS:20171026-135406928

2015

Shao, Yihan and Gan, Zhengting and Epifanovsky, Evgeny et al. (2015) Advances in molecular quantum chemistry contained in the Q-Chem 4 program package. Molecular Physics, 113 (2). pp. 184-215. ISSN 0026-8976. http://resolver.caltech.edu/CaltechAUTHORS:20170106-112949955

2011

Zhang, Igor Ying and Xu, Xin and Jung, Yousung et al. (2011) A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz. Proceedings of the National Academy of Sciences of the United States of America, 108 (50). pp. 19896-19900. ISSN 0027-8424. PMCID PMC3250148. http://resolver.caltech.edu/CaltechAUTHORS:20120105-121854116

2009

Zhang, Ying and Xu, Xin and Goddard, William A., III (2009) Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics. Proceedings of the National Academy of Sciences of the United States of America, 106 (13). pp. 4963-4968. ISSN 0027-8424. PMCID PMC2664054. http://resolver.caltech.edu/CaltechAUTHORS:20090710-075544902

2006

Porter, Keith A. and Krishnan, Swaminathan and Xu, Xin (2006) Analysis of Simultaneous Operational Failure of Critical Facilities due to Earthquake, for a California Utlity. Earthquake Engineering Research Laboratory , Pasadena, CA. (Submitted) http://resolver.caltech.edu/CaltechEERL:EERL-2006-01

2004

Deng, Wei-Qiao and Xu, Xin and Goddard, William A., III (2004) A Two-Stage Mechanism of Bimetallic Catalyzed Growth of Single-Walled Carbon Nanotubes. Nano Letters, 4 (12). pp. 2331-2335. ISSN 1530-6984. http://resolver.caltech.edu/CaltechAUTHORS:20170731-132443967

Su, Julius T. and Xu, Xin and Goddard, William A., III (2004) Accurate Energies and Structures for Large Water Clusters Using the X3LYP Hybrid Density Functional. Journal of Physical Chemistry A, 108 (47). pp. 10518-10526. ISSN 1089-5639. http://resolver.caltech.edu/CaltechAUTHORS:20170524-144024380

Xu, Xin and Goddard, William A., III (2004) Assessment of Handy−Cohen Optimized Exchange Density Functional (OPTX). Journal of Physical Chemistry A, 108 (40). pp. 8495-8504. ISSN 1089-5639. http://resolver.caltech.edu/CaltechAUTHORS:20170509-110045294

Xu, Xin and Goddard, William A., III (2004) Bonding Properties of the Water Dimer: A Comparative Study of Density Functional Theories. Journal of Physical Chemistry A, 108 (12). pp. 2305-2313. ISSN 1089-5639. http://resolver.caltech.edu/CaltechAUTHORS:20170524-084008185

Xu, Xin and Goddard, William A., III (2004) The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties. Proceedings of the National Academy of Sciences of the United States of America, 101 (9). pp. 2673-2677. ISSN 0027-8424. PMCID PMC374194. http://resolver.caltech.edu/CaltechAUTHORS:XUXpnas04

2003

van Duin, Adri C. T. and Strachan, Alejandro and Stewman, Shannon et al. (2003) ReaxFF_(SiO) Reactive Force Field for Silicon and Silicon Oxide Systems. Journal of Physical Chemistry A, 107 (19). pp. 3803-3811. ISSN 1089-5639. http://resolver.caltech.edu/CaltechAUTHORS:20170630-130928587

Xu, Xin and Kua, Jeremy and Periana, Roy A. et al. (2003) Structure, Bonding, and Stability of a Catalytica Platinum(II) Catalyst: A Computational Study. Organometallics, 22 (10). pp. 2057-2068. ISSN 0276-7333. http://resolver.caltech.edu/CaltechAUTHORS:20170309-091139543

2002

Xu, Xin and Goddard, William A., III (2002) Peroxone chemistry: Formation of H_2O_3 and ring-(HO_2)(HO_3) from O_3/H_2O_2. Proceedings of the National Academy of Sciences of the United States of America, 99 (24). pp. 15308-15312. ISSN 0027-8424. PMCID PMC137712. http://resolver.caltech.edu/CaltechAUTHORS:20141121-133241067

Xu, Xin and Muller, Richard P. and Goddard, William A., III (2002) The gas phase reaction of singlet dioxygen with water: A water-catalyzed mechanism. Proceedings of the National Academy of Sciences of the United States of America, 99 (6). pp. 3376-3381. ISSN 0027-8424. PMCID PMC122531. http://resolver.caltech.edu/CaltechAUTHORS:20141121-131643112

Datta, Deepshikha and Vaidehi, Nagarajan and Xu, Xin et al. (2002) Mechanism for antibody catalysis of the oxidation of water by singlet dioxygen. Proceedings of the National Academy of Sciences of the United States of America, 99 (5). pp. 2636-2641. ISSN 0027-8424. PMCID PMC122400. http://resolver.caltech.edu/CaltechAUTHORS:20141120-095436298

Kua, Jeremy and Xu, Xin and Periana, Roy A. et al. (2002) Stability and Thermodynamics of the PtCl_2 Type Catalyst for Activating Methane to Methanol: A Computational Study. Organometallics, 21 (3). pp. 511-525. ISSN 0276-7333. http://resolver.caltech.edu/CaltechAUTHORS:20170725-101405516

2001

Wentworth, Paul Jr. and Jones, Lyn H. and Wentworth, Anita D. et al. (2001) Antibody Catalysis of the Oxidation of Water. Science, 293 (5536). pp. 1806-1811. ISSN 0036-8075. http://resolver.caltech.edu/CaltechAUTHORS:20141118-125124794

This list was generated on Fri May 24 01:20:52 2019 PDT.