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Andrew Lipton
Chemist

Dr. Andrew Lipton is a chemist with the Terrestrial-Atmosphere Processes team. Lipton has been associated with EMSL from its inception as a resource for solid-state nuclear magnetic resonance (NMR) users. He brings his more than 30 years of NMR experience to aid EMSL users in obtaining experimental NMR data of environmental samples, such as soils, plant cell walls, and organo-mineral interactions. He also specializes in solid-state NMR of quadrupolar nuclides, including strontium, calcium, magnesium, deuterium, boron, and copper. He is currently helping develop NMR methodologies for in situ study of borohydride chemistry for hydrogen storage and lignin degradation to facilitate bioenergy conversion, among others. PNNL’s high-field dynamic nuclear polarization NMR enables some of these projects and Lipton helps develop these experiments, as well.

Research Interests

  • Characterization of organo-mineral interactions
  • Determination of plant cell wall architecture
  • Utilization of NMR to monitor reaction chemistry in situ

Education

  • PhD in Chemistry, University of South Carolina, 1993
  • BS in Chemistry, Syracuse University, 1987

Awards and Recognition

  • Key Biochemistry Developments, Chemical and Engineering News (2001)
  • Outstanding Performance Award, PNNL (1999, 2001, 2013)

 

Publications

2020

Mow R.E., A.S. Lipton, S. Shulda, E. Gaulding, T. Gennett, and W.A. Braunecker. 2020. "Colloidal Three-Dimensional Covalent Organic Frameworks and Their Application as Porous Liquids." Journal of Materials Chemistry in press.

Gao Y., A.S. Lipton, Y. Wittmer, D.T. Murray, and J.C. Mortimer. 2020. "A Grass-specific Cellulose-xylan Interaction Dominates in Sorghum Secondary Cell Walls." Nature Comm in press.

Bayliss, R. D., B. Key, G. Sai Gautam, P. Canepa, B. J. Kwon, S. H. Lapidus, F. Dogan, A. A. Adil, A. S. Lipton, P. J. Baker, G. Ceder, J. T. Vaughey, and J. Cabana. 2020. “Probing Mg Migration in Spinel Oxides.” Chemistry of Materials 32 (2): 663-670. https://doi.org/10.1021/acs.chemmater.9b02450.

Chen, Y., N. R. Jaegers, K. S. Han, H. Wang, R. P. Young, G. Agarwal, A. S. Lipton, R. S. Assary, N. M. Washton, J. Z. Hu, K. T. Mueller, and V. Murugesan. 2020. “Probing Conformational Evolution and Associated Dynamics of Mg(N(SO2CF3)2)2·Dimethoxyethane Adduct Using Solid-State 19F and 1H NMR.” Journal of Physical Chemistry C 124 (9): 4999-5008. https://doi.org/10.1021/acs.jpcc.9b10212.

Schneemann, A., L. F. Wan, A. S. Lipton, Y. S. Liu, J. L. Snider, A. A. Baker, J. D. Sugar, C. D. Spataru, J. Guo, T. S. Autrey, M. Jørgensen, T. R. Jensen, B. C. Wood, M. D. Allendorf, and V. Stavila. 2020. “Nanoconfinement of Molecular Magnesium Borohydride Captured in a Bipyridine-Functionalized Metal-Organic Framework.” ACS Nano 14 (8): 10294-10304. https://doi.org/10.1021/acsnano.0c03764.

White, J. L., N. A. Strange, J. D. Sugar, J. L. Snider, A. Schneemann, A. S. Lipton, M. F. Toney, M. D. Allendorf, and V. Stavila. 2020. “Melting of Magnesium Borohydride under High Hydrogen Pressure: Thermodynamic Stability and Effects of Nanoconfinement.” Chemistry of Materials 32 (13): 5604-5615. https://doi.org/10.1021/acs.chemmater.0c01050.

2019

Graham, T. R., J. Z. Hu, X. Zhang, M. Dembowski, N. R. Jaegers, C. Wan, M. Bowden, A. S. Lipton, A. R. Felmy, S. B. Clark, K. M. Rosso, and C. I. Pearce. 2019. “Unraveling Gibbsite Transformation Pathways into LiAl-LDH in Concentrated Lithium Hydroxide.” Inorganic Chemistry 58 (18): 12385-12394. https://doi.org/10.1021/acs.inorgchem.9b02000.

Grube, E., A. S. Lipton, and U. G. Nielsen. 2019. “Identification of Hydrogen Species in Alunite-Type Minerals by Multi-Nuclear Solid-State NMR Spectroscopy.” Physics and Chemistry of Minerals 46 (3): 299-309. https://doi.org/10.1007/s00269-018-1004-8.

Han, B., B. Key, A. S. Lipton, J. T. Vaughey, B. Hughes, J. Trevey, and F. Dogan. 2019. “Influence of Coating Protocols on Alumina-Coated Cathode Material: Atomic Layer Deposition Versus Wet-Chemical Coating.” Journal of the Electrochemical Society 166 (15): A3679-A3684. https://doi.org/10.1149/2.0681915jes.

Nienhuis, E. T., M. Saleh, J. Marcial, K. Kriegsman, J. Lonergan, A. S. Lipton, X. Guo, and J. S. McCloy. 2019. “Structural Characterization of ZnSO4-K2SO4-NaC Glasses.” Journal of Non-Crystalline Solids 524. https://doi.org/10.1016/j.jnoncrysol.2019.119639.

Stavila, V., M. E. Foster, J. W. Brown, R. W. Davis, J. Edgington, A. I. Benin, R. A. Zarkesh, R. Parthasarathi, D. W. Hoyt, E. D. Walter, A. Andersen, N. M. Washton, A. S. Lipton, and M. D. Allendorf. 2019. “IRMOF-74(n)-Mg: A Novel Catalyst Series for Hydrogen Activation and Hydrogenolysis of C-O Bonds.” Chemical Science 10 (42): 9880-9892. https://doi.org/10.1039/c9sc01018a.

Xu, J., Y. M. Liu, A. S. Lipton, J. Ye, G. L. Hoatson, P. J. Milner, T. M. McDonald, R. L. Siegelman, A. C. Forse, B. Smit, J. R. Long, and J. A. Reimer. 2019. “Amine Dynamics in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.” Journal of Physical Chemistry Letters 10 (22): 7044-7049. https://doi.org/10.1021/acs.jpclett.9b02883.

2018

Wustrow, A., B. Key, P. J. Phillips, N. Sa, A. S. Lipton, R. F. Klie, J. T. Vaughey, and K. R. Poeppelmeier. 2018. “Synthesis and Characterization of MgCr2S4 Thiospinel as a Potential Magnesium Cathode.” Inorganic Chemistry 57 (14): 8634-8638. https://doi.org/10.1021/acs.inorgchem.8b01417.

2017

Vogelsberg, C. S., F. J. Uribe-Romo, A. S. Lipton, S. Yang, K. N. Hou, S. Brown, and M. A. Garcia-Garibay. 2017. “Ultrafast Rotation in an Amphidynamic Crystalline Metal Organic Framework.” Proceedings of the National Academy of Sciences of the United States of America 114 (52): 13613-13618. https://doi.org/10.1073/pnas.1708817115.

Weaver, J., C. Z. Soderquist, N. M. Washton, A. S. Lipton, P. L. Gassman, W. W. Lukens, A. A. Kruger, N. A. Wall, and J. S. McCloy. 2017. “Chemical Trends in Solid Alkali Pertechnetates.” Inorganic Chemistry 56 (5): 2533-2544. https://doi.org/10.1021/acs.inorgchem.6b02694.

Xu, J., E. S. M. Blaakmeer, A. S. Lipton, T. M. McDonald, Y. M. Liu, B. Smit, J. R. Long, A. P. M. Kentgens, and J. A. Reimer. 2017. “Uncovering the Local Magnesium Environment in the Metal-Organic Framework Mg2(dobpdc) Using 25Mg NMR Spectroscopy.” Journal of Physical Chemistry C 121 (36): 19938-19945. https://doi.org/10.1021/acs.jpcc.7b07809.

2015

Dithmer, L., A. S. Lipton, K. Reitzel, T. E. Warner, D. Lundberg, and U. G. Nielsen. 2015. “Characterization of Phosphate Sequestration by a Lanthanum Modified Bentonite Clay: A Solid-State NMR, EXAFS, and PXRD Study.” Environmental Science and Technology 49 (7): 4559-4566. https://doi.org/10.1021/es506182s.

Pushparaj, S. S. C., C. Forano, V. Prevot, A. S. Lipton, G. J. Rees, J. V. Hanna, and U. G. Nielsen. 2015. “How the Method of Synthesis Governs the Local and Global Structure of Zinc Aluminum Layered Double Hydroxides.” Journal of Physical Chemistry C 119 (49): 27695-27707. https://doi.org/10.1021/acs.jpcc.5b09490.

Vugmeyster, L., D. Ostrovsky, T. Villafranca, J. Sharp, W. Xu, A. S. Lipton, G. L. Hoatson, and R. L. Vold. 2015. “Dynamics of Hydrophobic Core Phenylalanine Residues Probed by Solid-State Deuteron NMR.” Journal of Physical Chemistry B 119 (47): 14892-14904. https://doi.org/10.1021/acs.jpcb.5b09299.

2014

Petersen, L. B., A. S. Lipton, V. Zorin, and U. G. Nielsen. 2014. “Local Environment and Composition of Magnesium Gallium Layered Double Hydroxides Determined from Solid-State 1H and 71Ga NMR Spectroscopy.” Journal of Solid State Chemistry 219: 242-246. https://doi.org/10.1016/j.jssc.2014.07.023.

2013

Han, Y., G. Hou, C. L. Suiter, J. Ahn, I. J. L. Byeon, A. S. Lipton, S. Burton, I. Hung, P. L. Gorkov, Z. Gan, W. Brey, D. Rice, A. M. Gronenborn, and T. Polenova. 2013. “Magic Angle Spinning NMR Reveals Sequence-Dependent Structural Plasticity, Dynamics, and the Spacer Peptide 1 Conformation in HIV-1 Capsid Protein Assemblies.” Journal of the American Chemical Society 135 (47): 17793-17803. https://doi.org/10.1021/ja406907h.

Kwak, J. H., J. H. Lee, S. D. Burton, A. S. Lipton, C. H. F. Peden, and J. Szanyi. 2013. “A Common Intermediate for N2 Formation in Enzymes and Zeolites: Side-on Cu-Nitrosyl Complexes.” Angewandte Chemie - International Edition 52 (38): 9985-9989. https://doi.org/10.1002/anie.201303498.

McCloy, J. S., B. J. Riley, A. S. Lipton, C. F. Windisch Jr, N. M. Washton, M. J. Olszta, and C. P. Rodriguez. 2013. “Structure and Chemistry in Halide Lead-Tellurite Glasses.” Journal of Physical Chemistry C 117 (7): 3456-3466. https://doi.org/10.1021/jp310820t.

Vugmeyster, L., D. Ostrovsky, and A. S. Lipton. 2013. “Origin of Abrupt Rise in Deuteron NMR Longitudinal Relaxation Times of Protein Methyl Groups Below 90 K.” Journal of Physical Chemistry B 117 (20): 6129-6137. https://doi.org/10.1021/jp4021596.

2011

Comellas, G., L. R. Lemkau, A. J. Nieuwkoop, K. D. Kloepper, D. T. Ladror, R. Ebisu, W. S. Woods, A. S. Lipton, J. M. George, and C. M. Rienstra. 2011. “Structured Regions of Α-Synuclein Fibrils Include the Early-Onset Parkinson's Disease Mutation Sites.” Journal of Molecular Biology 411 (4): 881-895. https://doi.org/10.1016/j.jmb.2011.06.026.

Koch, R., A. S. Lipton, S. Filipek, and V. Renugopalakrishnan. 2011. “Arginine Interactions with Anatase TiO2 (100) Surface and the Perturbation of 49Ti NMR Chemical Shifts - a DFT Investigation: Relevance to Renu-Seeram Bio Solar Cell.” Journal of Molecular Modeling 17 (6): 1467-1472. https://doi.org/10.1007/s00894-010-0853-y.

2010

Davis, M. C., W. J. Brouwer, A. S. Lipton, Z. Gan, and K. T. Mueller. 2010. “Characterization of Cation Environments in Polycrystalline Forsterite by 25Mg MAS, MGMAS, and QCPMG NMR.” American Mineralogist 95 (11-12): 1601-1607. https://doi.org/10.2138/am.2010.3403.

Ellis, P. D., J. A. Sears, P. Yang, M. Dupuis, T. T. Boron, V. L. Pecoraro, T. A. Stich, R. D. Britt, and A. S. Lipton. 2010. “Solid-State 55Mn NMR Spectroscopy of Bis(µ-oxo) Dimanganese(IV) [Mn2O2(salpn)2], a Model for the Oxygen Evolving Complex in Photosystem II.” Journal of the American Chemical Society 132 (47): 16727-16729. https://doi.org/10.1021/ja1054252.

Sperling, L. J., A. J. Nieuwkoop, A. S. Lipton, D. A. Berthold, and C. M. Rienstra. 2010. “High Resolution NMR Spectroscopy of Nanocrystalline Proteins at Ultra-High Magnetic Field.” Journal of Biomolecular NMR 46 (2): 149-155. https://doi.org/10.1007/s10858-009-9389-9.

Vugmeyster, L., D. Ostrovsky, J. J. Ford, and A. S. Lipton. 2010. “Freezing of Dynamics of a Methyl Group in a Protein Hydrophobic Core at Cryogenic Temperatures by Deuteron NMR Spectroscopy.” Journal of the American Chemical Society 132 (12): 4038-4039. https://doi.org/10.1021/ja909599k.

Vugmeyster, L., D. Ostrovsky, M. Moses, J. J. Ford, A. S. Lipton, G. L. Hoatson, and R. L. Vold. 2010. “Comparative Dynamics of Leucine Methyl Groups in FMOC-Leucine and in a Protein Hydrophobic Core Probed by Solid-State Deuteron Nuclear Magnetic Resonance over 7-324 K Temperature Range.” Journal of Physical Chemistry B 114 (48): 15799-15807. https://doi.org/10.1021/jp1082467.

2009

Davis, M. C., W. J. Brouwer, D. J. Wesolowski, L. M. Anovitz, A. S. Lipton, and K. T. Mueller. 2009. “Magnesium Silicate Dissolution Investigated by 29Si MAS, 1H-29Si CPMAS, 25Mg QCPMG, and 1H-25Mg CP QCPMG NMR.” Physical Chemistry Chemical Physics 11 (32): 7013-7021. https://doi.org/10.1039/b907494e.

Lipton, A. S., R. W. Heck, W. A. De Jong, A. R. Gao, X. Wu, A. Roehrich, G. S. Harbison, and P. D. Ellis. 2009. “Low Temperature 65Cu NMR Spectroscopy of the Cu+ Site in Azurin.” Journal of the American Chemical Society 131 (39): 13992-13999. https://doi.org/10.1021/ja901308v.

Vugmeyster, L., D. Ostrovsky, J. J. Ford, S. D. Burton, A. S. Lipton, G. L. Hoatson, and R. L. Vold. 2009. “Probing the Dynamics of a Protein Hydrophobic Core by Deuteron Solid-State Nuclear Magnetic Resonance Spectroscopy.” Journal of the American Chemical Society 131 (38): 13651-13658. https://doi.org/10.1021/ja902977u.

2008

Bouchard, L. S., A. O. Sushkov, D. Budker, J. J. Ford, and A. S. Lipton. 2008. “Nuclear-Spin Relaxation of Pb207 in Ferroelectric Powders.” Physical Review A - Atomic, Molecular, and Optical Physics 77 (2). https://doi.org/10.1103/PhysRevA.77.022102.

Bowmaker, G. A., J. V. Hanna, F. E. Hahn, A. S. Lipton, C. E. Oldham, B. W. Skelton, M. E. Smith, and A. H. White. 2008. “Structural and Spectroscopic Studies of Some Copper(I) Halide Tert-Butyl Isocyanide Adducts.” Dalton Transactions (13): 1710-1720. https://doi.org/10.1039/b712815k.

Cho, H., W. J. Shaw, V. Parvanov, G. K. Schenter, A. Karkamkar, N. J. Hess, C. Mundy, S. Kathmann, J. Sears, A. S. Lipton, P. D. Ellis, and S. Thomas Autrey. 2008. “Molecular Structure and Dynamics in the Low Temperature (Orthorhombic) Phase of NH3BH3.” Journal of Physical Chemistry A 112 (18): 4277-4283. https://doi.org/10.1021/jp7117696.

Lipton, A. S., R. W. Heck, M. Hernick, C. A. Fierke, and P. D. Ellis. 2008. “Residue Ionization in Lpxc Directly Observed by 67Zn NMR Spectroscopy.” Journal of the American Chemical Society 130 (38): 12671-12679. https://doi.org/10.1021/ja801776c.

Lipton, A. S., R. W. Heck, S. Primak, D. R. McNeill, D. M. Wilson Iii, and P. D. Ellis. 2008. “Characterization of Mg2+ Binding to the DNA Repair Protein Apurinic/Apyrimidic Endonuclease 1 Via Solid-State 25Mg NMR Spectroscopy.” Journal of the American Chemical Society 130 (29): 9332-9341. https://doi.org/10.1021/ja0776881.

Lipton, A. S., R. W. Heck, G. R. Staeheli, M. Valiev, W. A. De Jong, and P. D. Ellis. 2008. “A QM/MM Approach to Interpreting 67Zn Solid-State NMR Data in Zinc Proteins.” Journal of the American Chemical Society 130 (19): 6224-6230. https://doi.org/10.1021/ja711240t.

Lipton, A. S., M. M. Morlok, G. Parkin, and P. D. Ellis. 2008. “67Zn Solid-State NMR Spectroscopy of {[TpBut,Me] Zn(OH2)}[HOB(C6F5)3]. The Importance of the Anion [HOB(C6F5)3].” Inorganic Chemistry 47 (12): 5184-5189. https://doi.org/10.1021/ic800009b.

2007

Lipton, A. S., and P. D. Ellis. 2007. “Modeling the Metal Center of Cys4 Zinc Proteins.” Journal of the American Chemical Society 129 (29): 9192-9200. https://doi.org/10.1021/ja071430t.

2006

Bowers, G. M., A. S. Lipton, and K. T. Mueller. 2006. “High-Field QCPMG NMR of Strontium Nuclei in Natural Minerals.” Solid State Nuclear Magnetic Resonance 29 (1-3): 95-103. https://doi.org/10.1016/j.ssNMR.2005.08.002.

Ellis, P. D., and A. S. Lipton. 2006. Low-Temperature Solid-State NMR Spectroscopy. A Strategy for the Direct Observation of Quadrupolar Nuclides of Biological Interest. In Annual Reports on NMR Spectroscopy.

Larsen, F. H., I. Farnan, and A. S. Lipton. 2006. “Separation of 47Ti and 49Ti Solid-State NMR Lineshapes by Static QCPMG Experiments at Multiple Fields.” Journal of Magnetic Resonance 178 (2): 228-236. https://doi.org/10.1016/j.jmr.2005.10.003.

2004

Lipton, A. S., R. W. Heck, and P. D. Ellis. 2004. “Zinc Solid-State NMR Spectroscopy of Human Carbonic Anhydrase: Implications for the Enzymatic Mechanism.” Journal of the American Chemical Society 126 (14): 4735-4739. https://doi.org/10.1021/ja0305609.

Lipton, A. S., R. W. Heck, J. A. Sears, and P. D. Ellis. 2004. “Low Temperature Solid-State NMR Experiments of Half-Integer Quadrupolar Nuclides: Caveats and Data Analysis.” Journal of Magnetic Resonance 168 (1): 66-74. https://doi.org/10.1016/j.jmr.2004.01.008.

2003

Lipton, A. S., C. Bergquist, G. Parkin, and P. D. Ellis. 2003. “Solid-State 67Zn NMR Spectroscopic Studies and Ab Initio Molecular Orbital Calculations on a Synthetic Analogue of Carbonic Anhydrase.” Journal of the American Chemical Society 125 (13): 3768-3772. https://doi.org/10.1021/ja021328q.

2002

Lipton, A. S., M. D. Smith, R. D. Adams, and P. D. Ellis. 2002. “Zn Solid-State and Single-Crystal NMR Spectroscopy and X-Ray Crystal Structure of Zinc Formate Dihydrate.” Journal of the American Chemical Society 124 (3): 410-414. https://doi.org/10.1021/ja011701e.

Lipton, A. S., T. A. Wright, M. K. Bowman, D. L. Reger, and P. D. Ellis. 2002. “Solid-State 67Zn NMR Spectroscopy in Bioinorganic Chemistry. Spectra of Four- and Six-Coordinate Zinc Pyrazolylborate Complexes Obtained by Management of Proton Relaxation Rates with a Paramagnetic Dopant.” Journal of the American Chemical Society 124 (20): 5850-5860. https://doi.org/10.1021/ja0127133.

2001

Bowmaker, G. A., J. V. Hanna, C. E. F. Rickard, and A. S. Lipton. 2001. “Crystal Structures and Vibrational and Solid-State (CPMAS) NMR Spectroscopy of Some Bis(Triphenylphosphine)Silver(I) Sulfate, Selenate and Phosphate Systems.” Journal of the Chemical Society, Dalton Transactions (1): 20-28. https://doi.org/10.1039/b007796h.

Lipton, A. S., G. W. Buchko, J. A. Sears, M. A. Kennedy, and P. D. Ellis. 2001. “67Zn Solid-State NMR Spectroscopy of the Minimal DNA Binding Domain of Human Nucleotide Excision Repair Protein XPA.” Journal of the American Chemical Society 123 (5): 992-993. https://doi.org/10.1021/ja003720e.

Lipton, A. S., J. A. Sears, and P. D. Ellis. 2001. “A General Strategy for the NMR Observation of Half-Integer Quadrupolar Nuclei in Dilute Environments.” Journal of Magnetic Resonance 151 (1): 48-59. https://doi.org/10.1006/jmre.2001.2353.

1999

Jacobs, D. M., A. S. Lipton, N. G. Isern, G. W. Daughdrill, D. F. Lowry, X. Gomes, and M. S. Wold. 1999. “Human Replication Protein A: Global Fold of the N-Terminal RPA-70 Domain Reveals a Basic Cleft and Flexible C-Terminal Linker.” Journal of Biomolecular NMR 14 (4): 321-331. https://doi.org/10.1023/A:1008373009786.

Larsen, F. H., A. S. Lipton, H. J. Jakobsen, N. C. Nielsen, and P. D. Ellis. 1999. “67Zn QCPMG Solid-State NMR Studies of Zinc Complexes as Models for Metalloproteins.” Journal of the American Chemical Society 121 (15): 3783-3784. https://doi.org/10.1021/ja9839623.

1996

Lipton, A. S., S. S. Mason, S. M. Myers, D. L. Reger, and P. D. Ellis. 1996. “113Cd Shielding Tensors of Monomeric Cadmium Compounds Containing Nitrogen Donor Atoms. 3. CP/MAS Studies on Five-Coordinate Cadmium Complexes Having N3X2 (X = H, N, O, and S) Donor Atoms.” Inorganic Chemistry 35 (24): 7111-7117. https://doi.org/10.1021/ic951528l.

McAteer, K., A. S. Lipton, M. A. Kennedy, and P. D. Ellis. 1996. “A Multiphase 113Cd NMR Investigation of Metalloporphyrin Reorientation in Cadmium-Substituted Myoglobin.” Solid State Nuclear Magnetic Resonance 7 (3): 229-238. https://doi.org/10.1016/S0926-2040(96)01274-X.

1995

Reger, D. L., S. M. Myers, S. S. Mason, D. J. Darensbourg, M. W. Holtcamp, J. H. Reibenspies, A. S. Lipton, and P. D. Ellis. 1995. “113Cd Shielding Tensors of Monomeric Cadmium Compounds Containing Nitrogen Donor Atoms. 2. Syntheses, Crystal Structure, and 113Cd NMR Spectroscopy of the Six-Coordinate Complexes [HB(pz)3]2Cd, [HB(3-Phpz)3]2Cd, and [B(pz)4]Cd[HB(3-Phpz)3] (pz = pyrazolyl).” Journal of the American Chemical Society 117 (44): 10998-11005. https://doi.org/10.1021/ja00149a024.

1994

Lipton, A. S., S. S. Mason, D. L. Reger, and P. D. Ellis. 1994. “113Cd Shielding Tensors of Monomeric Cadmium Compounds Containing Nitrogen Donor Atoms. 1. CP/MAS Studies on Cadmium Poly(Pyrazolyl)Borate Complexes Having N4 and N6 coordination Environments.” Journal of the American Chemical Society 116 (22): 10182-10187. https://doi.org/10.1021/ja00101a043.

1993

Ellis, P. D., J. D. Odom, A. S. Lipton, and J. M. Gulick. 1993. “Comments Concerning the Computation of 113Cd Chemical Shifts.” Journal of the American Chemical Society 115 (2): 755-759. https://doi.org/10.1021/ja00055a055.