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A., Embs, J. P., Waggoner, N. W., Hogan, A., … Space, B. (2015). Inelastic Neutron Scattering and Theoretical Studies of H2Sorption in a Dy(III)-Based Phosphine Coordination Material. Chemistry of Materials, 27(22), 7619–7626. https://doi.org/10.1021/acs.chemmater.5b02747 Forrest, K. A., Pham, T., Georgiev, P. A., Pinzan, F., Cioce, C. R., Unruh, T., … Space, B. (2015). Investigating H2Sorption in a Fluorinated Metal–Organic Framework with Small Pores Through Molecular Simulation and Inelastic Neutron Scattering. Langmuir, 31(26), 7328–7336. https://doi.org/10.1021/acs.langmuir.5b01664 Scott, H. S., Bajpai, A., Chen, K.-J., Pham, T., Space, B., Perry, J. J., & Zaworotko, M. J. (2015). Novel mode of 2-fold interpenetration observed in a primitive cubic network of formula [Ni(1,2-bis(4-pyridyl)acetylene)2(Cr2O7)]n. Chemical Communications, 51(80), 14832–14835. https://doi.org/10.1039/c5cc05866j Gao, W.-Y., Cai, R., Pham, T., Forrest, K. A., Hogan, A., Nugent, P., … Ma, S. (2015). Remote Stabilization of Copper Paddlewheel Based Molecular Building Blocks in Metal–Organic Frameworks. Chemistry of Materials, 27(6), 2144–2151. https://doi.org/10.1021/acs.chemmater.5b00084 Gao, W.-Y., Pham, T., Forrest, K. A., Space, B., Wojtas, L., Chen, Y.-S., & Ma, S. (2015). The local electric field favours more than exposed nitrogen atoms on CO2 capture: a case study on the rht-type MOF platform. Chemical Communications, 51(47), 9636–9639. https://doi.org/10.1039/c5cc02573g Pham, T., Forrest, K. A., Gao, W.-Y., Ma, S., & Space, B. (2015). Theoretical Insights into the Tuning of Metal Binding Sites of Paddlewheels in rht-Metal-Organic Frameworks. ChemPhysChem, 16(15), 3170–3179. https://doi.org/10.1002/cphc.201500504 Pham, T., Forrest, K. A., Hogan, A., Tudor, B., McLaughlin, K., Belof, J. L., … Space, B. (2015). Understanding Hydrogen Sorption in In-soc-MOF: A Charged Metal-Organic Framework with Open-Metal Sites, Narrow Channels, and Counterions. Crystal Growth & Design, 15(3), 1460–1471. https://doi.org/10.1021/cg5018104 Pham, T., Forrest, K. A., Georgiev, P. A., Lohstroh, W., Xue, D.-X., Hogan, A., … Eckert, J. (2014). A high rotational barrier for physisorbed hydrogen in an fcu-metal–organic framework. Chem. Commun., 50(91), 14109–14112. https://doi.org/10.1039/c4cc05987e Pham, T., Forrest, K. A., McLaughlin, K., Eckert, J., & Space, B. (2014). Capturing the H2–Metal Interaction in Mg-MOF-74 Using Classical Polarization. The Journal of Physical Chemistry C, 118(39), 22683–22690. https://doi.org/10.1021/jp508249c Nugent, P., Pham, T., McLaughlin, K., Georgiev, P. A., Lohstroh, W., Embs, J. P., … Eckert, J. (2014). Dramatic effect of pore size reduction on the dynamics of hydrogen adsorbed in metal–organic materials. Journal of Materials Chemistry A, 2(34), 13884. https://doi.org/10.1039/c4ta02171a Forrest, K. A., Pham, T., McLaughlin, K., Hogan, A., & Space, B. (2014). Insights into an intriguing gas sorption mechanism in a polar metal–organic framework with open-metal sites and narrow channels. Chem. Commun., 50(55), 7283–7286. https://doi.org/10.1039/c4cc03070b Li, B., Zhang, Y., Krishna, R., Yao, K., Han, Y., Wu, Z., … Ma, S. (2014). Introduction of π-Complexation into Porous Aromatic Framework for Highly Selective Adsorption of Ethylene over Ethane. Journal of the American Chemical Society, 136(24), 8654–8660. https://doi.org/10.1021/ja502119z Pham, T., Forrest, K. A., McDonald, K., & Space, B. (2014). Modeling PCN-61 and PCN-66: Isostructural rht-Metal–Organic Frameworks with Distinct CO2 Sorption Mechanisms. Crystal Growth & Design, 14(11), 5599–5607. https://doi.org/10.1021/cg500860t Elsaidi, S. K., Mohamed, M. H., Wojtas, L., Chanthapally, A., Pham, T., Space, B., … Zaworotko, M. J. (2014). Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets. Journal of the American Chemical Society, 136(13), 5072–5077. https://doi.org/10.1021/ja500005k Pham, T., Forrest, K. A., Tudor, B., Elsaidi, S. K., Mohamed, M. H., McLaughlin, K., … Space, B. (2014). Theoretical Investigations of CO2 and CH4 Sorption in an Interpenetrated Diamondoid Metal–Organic Material. Langmuir, 30(22), 6454–6462. https://doi.org/10.1021/la500967w Green, A. J., & Space, B. (2015). Time Correlation Function Modeling of Third-Order Sum Frequency Vibrational Spectroscopy of a Charged Surface/Water Interface. The Journal of Physical Chemistry B, 119(29), 9219–9224. https://doi.org/10.1021/jp509647w Pham, T., Forrest, K. A., Banerjee, R., Orcajo, G., Eckert, J., & Space, B. (2015). Understanding the H2Sorption Trends in the M-MOF-74 Series (M = Mg, Ni, Co, Zn). The Journal of Physical Chemistry C, 119(2), 1078–1090. https://doi.org/10.1021/jp510253m Mullen, A. L., Pham, T., Forrest, K. A., Cioce, C. R., McLaughlin, K., & Space, B. (2013). A Polarizable and Transferable PHAST CO2 Potential for Materials Simulation. Journal of Chemical Theory and Computation, 9(12), 5421–5429. https://doi.org/10.1021/ct400549q Cioce, C. R., McLaughlin, K., Belof, J. L., & Space, B. (2013). A Polarizable and Transferable PHAST N2Potential for Use in Materials Simulation. Journal of Chemical Theory and Computation, 9(12), 5550–5557. https://doi.org/10.1021/ct400526a Nugent, P. S., Rhodus, V. L., Pham, T., Forrest, K., Wojtas, L., Space, B., & Zaworotko, M. J. (2013). A Robust Molecular Porous Material with High CO2 Uptake and Selectivity. Journal of the American Chemical Society, 135(30), 10950–10953. https://doi.org/10.1021/ja4054948 Forrest, K. A., Pham, T., Hogan, A., McLaughlin, K., Tudor, B., Nugent, P., … Space, B. (2013). Computational Studies of CO2Sorption and Separation in an Ultramicroporous Metal–Organic Material. The Journal of Physical Chemistry C, 117(34), 17687–17698. https://doi.org/10.1021/jp405781c McLaughlin, K., Cioce, C. R., Pham, T., Belof, J. L., & Space, B. (2013). Efficient calculation of many-body induced electrostatics in molecular systems. The Journal of Chemical Physics, 139(18), 184112. https://doi.org/10.1063/1.4829144 Nugent, P., Rhodus, V., Pham, T., Tudor, B., Forrest, K., Wojtas, L., … Zaworotko, M. (2013). Enhancement of CO2 selectivity in a pillared pcu MOM platform through pillar substitution. Chemical Communications, 49(16), 1606. https://doi.org/10.1039/c3cc37695h Forrest, K. A., Pham, T., Nugent, P., Burd, S. D., Mullen, A., Wojtas, L., … Space, B. (2013). Examining the Effects of Different Ring Configurations and Equatorial Fluorine Atom Positions on CO2Sorption in [Cu(bpy)2SiF6]. Crystal Growth & Design, 13(10), 4542–4548. https://doi.org/10.1021/cg401034s Pham, T., Forrest, K. A., Eckert, J., Georgiev, P. A., Mullen, A., Luebke, R., … Space, B. (2013). Investigating the Gas Sorption Mechanism in an rht-Metal–Organic Framework through Computational Studies. The Journal of Physical Chemistry C, 118(1), 439–456. https://doi.org/10.1021/jp409950r Mohamed, M. H., Elsaidi, S. K., Pham, T., Forrest, K. A., Tudor, B., Wojtas, L., … Zaworotko, M. J. (2013). Pillar substitution modulates CO2 affinity in “mmo” topology networks. Chemical Communications, 49(84), 9809. https://doi.org/10.1039/c3cc44745f Nugent, P., Belmabkhout, Y., Burd, S. D., Cairns, A. J., Luebke, R., Forrest, K., … Zaworotko, M. J. (2013). Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation. Nature, 495(7439), 80–84. https://doi.org/10.1038/nature11893 Pham, T., Forrest, K. A., Hogan, A., McLaughlin, K., Belof, J. L., Eckert, J., & Space, B. (2014). Simulations of hydrogen sorption in rht-MOF-1: identifying the binding sites through explicit polarization and quantum rotation calculations. J. Mater. Chem. A, 2(7), 2088–2100. https://doi.org/10.1039/c3ta14591c Tudor, B., & Space, B. (2013). Solving the Many-Body Polarization Problem on GPUs: Application to MOFs. The Journal of Computational Science Education, 4(1), 30–34. https://doi.org/10.22369/issn.2153-4136/4/1/5 Pham, T., Forrest, K. A., McLaughlin, K., Tudor, B., Nugent, P., Hogan, A., … Space, B. (2013). Theoretical Investigations of CO2and H2Sorption in an Interpenetrated Square-Pillared Metal–Organic Material. The Journal of Physical Chemistry C, 117(19), 9970–9982. https://doi.org/10.1021/jp402764s Pham, T., Forrest, K. A., Nugent, P., Belmabkhout, Y., Luebke, R., Eddaoudi, M., … Space, B. (2013). Understanding Hydrogen Sorption in a Metal–Organic Framework with Open-Metal Sites and Amide Functional Groups. The Journal of Physical Chemistry C, 117(18), 9340–9354. https://doi.org/10.1021/jp402304a McLaughlin, K., Cioce, C. R., Belof, J. L., & Space, B. (2012). A molecular H2 potential for heterogeneous simulations including polarization and many-body van der Waals interactions. The Journal of Chemical Physics, 136(19), 194302. https://doi.org/10.1063/1.4717705 Green, A. J., Perry, A., Moore, P. B., & Space, B. (2012). A theoretical study of the sum frequency vibrational spectroscopy of the carbon tetrachloride/water interface. Journal of Physics: Condensed Matter, 24(12), 124108. https://doi.org/10.1088/0953-8984/24/12/124108 McLaughlin, K., Cioce, C. R., Belof, J. L., & Space, B. (2012). Erratum: “A molecular H2 potential for heterogeneous simulations including polarization and many-body van der Waals interactions” [J. Chem. Phys. 136, 194302 (2012)]. The Journal of Chemical Physics, 137(12), 129901. https://doi.org/10.1063/1.4755289 Mohamed, M. H., Elsaidi, S. K., Wojtas, L., Pham, T., Forrest, K. A., Tudor, B., … Zaworotko, M. J. (2012). Highly Selective CO2 Uptake in Uninodal 6-Connected “mmo” Nets Based upon MO42– (M = Cr, Mo) Pillars. Journal of the American Chemical Society, 134(48), 19556–19559. https://doi.org/10.1021/ja309452y Matanović, I., Belof, J. L., Space, B., Sillar, K., Sauer, J., Eckert, J., & Bačić, Z. (2012). Hydrogen adsorbed in a metal organic framework-5: Coupled translation-rotation eigenstates from quantum five-dimensional calculations. The Journal of Chemical Physics, 137(1), 014701. https://doi.org/10.1063/1.4730906 Forrest, K. A., Pham, T., McLaughlin, K., Belof, J. L., Stern, A. C., Zaworotko, M. J., & Space, B. (2012). Simulation of the Mechanism of Gas Sorption in a Metal–Organic Framework with Open Metal Sites: Molecular Hydrogen in PCN-61. The Journal of Physical Chemistry C, 116(29), 15538–15549. https://doi.org/10.1021/jp306084t Stern, A. C., Belof, J. L., Eddaoudi, M., & Space, B. (2012). Understanding hydrogen sorption in a polar metal-organic framework with constricted channels. The Journal of Chemical Physics, 136(3), 034705. https://doi.org/10.1063/1.3668138 Belof, J. L., Cioce, C. R., Xu, X., Zhang, X. P., Space, B., & Woodcock, H. L. (2011). Characterization of Tunable Radical Metal–Carbenes: Key Intermediates in Catalytic Cyclopropanation. Organometallics, 30(10), 2739–2746. https://doi.org/10.1021/om2001348 Chen, D.-L., Stern, A. C., Space, B., & Johnson, J. K. (2010). Atomic Charges Derived from Electrostatic Potentials for Molecular and Periodic Systems. The Journal of Physical Chemistry A, 114(37), 10225–10233. https://doi.org/10.1021/jp103944q Hilker, B., Fields, K. B., Stern, A., Space, B., Zhang, X. P., & Harmon, J. P. (2010). Dielectric analysis of poly(methyl methacrylate) zinc(II) mono-pinacolborane diphenylporphyrin composites. Polymer, 51(21), 4790–4805. https://doi.org/10.1016/j.polymer.2010.08.049 McIntyre, N. R., Lowe, E. W., Jr., Belof, J. L., Ivkovic, M., Shafer, J., Space, B., & Merkler, D. J. (2010). Evidence for Substrate Preorganization in the Peptidylglycine α-Amidating Monooxygenase Reaction Describing the Contribution of Ground State Structure to Hydrogen Tunneling. Journal of the American Chemical Society, 132(46), 16393–16402. https://doi.org/10.1021/ja1019194 Belof, J. L., Stern, A. C., & Space, B. (2009). A Predictive Model of Hydrogen Sorption for Metal−Organic Materials. The Journal of Physical Chemistry C, 113(21), 9316–9320. https://doi.org/10.1021/jp901988e Belof, J. L., Stern, A. C., & Space, B. (2008). An Accurate and Transferable Intermolecular Diatomic Hydrogen Potential for Condensed Phase Simulation. Journal of Chemical Theory and Computation, 4(8), 1332–1337. https://doi.org/10.1021/ct800155q Space, B. (2008). Making a life in the physical sciences. Journal of Organizational Behavior, 29(6), 755–759. https://doi.org/10.1002/job.534 Mokdad, A., Belof, J. L., Yi, S. W., Shuler, S. E., McLaughlin, M. L., Space, B., & Larsen, R. W. (2008). Photophysical Studies of the Trans to Cis Isomerization of the Push−Pull Molecule: 1-(Pyridin-4-yl)-2-(N-methylpyrrol-2-yl)ethene (mepepy). The Journal of Physical Chemistry A, 112(36), 8310–8315. https://doi.org/10.1021/jp803268r Neipert, C., & Space, B. (2007). A Distributed Hyperpolarizability Model for Liquid Water. Computing Letters, 3(2), 431–440. https://doi.org/10.1163/157404007782913291 Neipert, C., Space, B., & Roney, A. B. (2007). Generalized Computational Time Correlation Function Approach:  Quantifying Quadrupole Contributions to Vibrationally Resonant Second-Order Interface-Specific Optical Spectroscopies†. The Journal of Physical Chemistry C, 111(25), 8749–8756. https://doi.org/10.1021/jp066934c Belof, J. L., Stern, A. C., Eddaoudi, M., & Space, B. (2007). On the Mechanism of Hydrogen Storage in a Metal−Organic Framework Material. Journal of the American Chemical Society, 129(49), 15202–15210. https://doi.org/10.1021/ja0737164 Neipert, C., & Space, B. (2006). A time correlation function theory describing static field enhanced third order optical effects at interfaces. The Journal of Chemical Physics, 125(22), 224706. https://doi.org/10.1063/1.2397687 DeVane, R., Kasprzyk, C., Space, B., & Keyes, T. (2006). Theoretical Investigation of the Temperature Dependence of the Fifth-Order Raman Response Function of Fluid and Liquid Xenon†. The Journal of Physical Chemistry B, 110(8), 3773–3781. https://doi.org/10.1021/jp055275l Perry, A., Neipert, C., Space, B., & Moore, P. B. (2006). Theoretical Modeling of Interface Specific Vibrational Spectroscopy:  Methods and Applications to Aqueous Interfaces. Chemical Reviews, 106(4), 1234–1258. https://doi.org/10.1021/cr040379y DeVane, R., Space, B., Jansen, T. l. C., & Keyes, T. (2006). Time correlation function and finite field approaches to the calculation of the fifth order Raman response in liquid xenon. The Journal of Chemical Physics, 125(23), 234501. https://doi.org/10.1063/1.2403129 Ridley, C., Stern, A. C., Green, T., DeVane, R., Space, B., Miksosvska, J., & Larsen, R. W. (2006). A combined photothermal and molecular dynamics method for determining molecular volume changes. Chemical Physics Letters, 418(1-3), 137–141. https://doi.org/10.1016/j.cplett.2005.10.093 Perry, A., Neipert, C., Kasprzyk, C. R., Green, T., Space, B., & Moore, P. B. (2005). A theoretical description of the polarization dependence of the sum frequency generation spectroscopy of the water/vapor interface. The Journal of Chemical Physics, 123(14), 144705. https://doi.org/10.1063/1.2046630 DeVane, R., Ridley, C., Space, B., & Keyes, T. (2005). Applications of a time correlation function theory for the fifth-order Raman response function I: Atomic liquids. The Journal of Chemical Physics, 123(19), 194507. https://doi.org/10.1063/1.2038768 Perry, A., Neipert, C., Ridley, C., Space, B., & Moore, P. B. (2005). Identification of a wagging vibrational mode of water molecules at the water/vapor interface. Physical Review E, 71(5). https://doi.org/10.1103/physreve.71.050601 Roney, A. B., Space, B., Castner, E. W., Napoleon, R. L., & Moore, P. B. (2004). A Molecular Dynamics Study of Aggregation Phenomena in Aqueousn-Propanol. The Journal of Physical Chemistry B, 108(22), 7389–7401. https://doi.org/10.1021/jp037922j DeVane, R., Space, B., Perry, A., Neipert, C., Ridley, C., & Keyes, T. (2004). A time correlation function theory of two-dimensional infrared spectroscopy with applications to liquid water. The Journal of Chemical Physics, 121(8), 3688–3701. https://doi.org/10.1063/1.1776119 DeVane, R., Ridley, C., Space, B., & Keyes, T. (2004). Tractable theory of nonlinear response and multidimensional nonlinear spectroscopy. Physical Review E, 70(5). https://doi.org/10.1103/physreve.70.050101 DeVane, R., Ridley, C., Larsen, R. W., Space, B., Moore, P. B., & Chan, S. I. (2003). A Molecular Dynamics Method for Calculating Molecular Volume Changes Appropriate for Biomolecular Simulation. Biophysical Journal, 85(5), 2801–2807. https://doi.org/10.1016/s0006-3495(03)74703-1 Perry, A., Ahlborn, H., Space, B., & Moore, P. B. (2003). A combined time correlation function and instantaneous normal mode study of the sum frequency generation spectroscopy of the water/vapor interface. The Journal of Chemical Physics, 118(18), 8411–8419. https://doi.org/10.1063/1.1565994 DeVane, R., Ridley, C., Space, B., & Keyes, T. (2003). A time correlation function theory for the fifth order Raman response function with applications to liquid CS2. The Journal of Chemical Physics, 119(12), 6073–6082. https://doi.org/10.1063/1.1601607 Moore, P. B., Ahlborn, H., & Space, B. (2002). A Combined Time Correlation Function and Instantaneous Normal Mode Investigation of Liquid-State Vibrational Spectroscopy. In ACS Symposium Series (pp. 30–43). https://doi.org/10.1021/bk-2002-0820.ch003 Constantine, S., Gardecki, J. A., Zhou, Y., Ziegler, L. D., Ji, X., & Space, B. (2001). A Novel Technique for the Measurement of Polarization-Specific Ultrafast Raman Responses. The Journal of Physical Chemistry A, 105(43), 9851–9858. https://doi.org/10.1021/jp004277x Ji, X., Ahlborn, H., Space, B., Moore, P. B., Zhou, Y., Constantine, S., & Ziegler, L. D. (2000). A combined instantaneous normal mode and time correlation function description of the optical Kerr effect and Raman spectroscopy of liquid CS2. The Journal of Chemical Physics, 112(9), 4186–4192. https://doi.org/10.1063/1.481539 Ji, X., Ahlborn, H., Space, B., & Moore, P. B. (2000). A theoretical investigation of the temperature dependence of the optical Kerr effect and Raman spectroscopy of liquid CS2. The Journal of Chemical Physics, 113(19), 8693–8699. https://doi.org/10.1063/1.1318772 Shah, V., Bowen, H. F., & Space, B. (2000). An atomically detailed description of metal–dielectric interfaces: The crossover from surface to bulk conducting properties of Ag–Xe. The Journal of Chemical Physics, 112(24), 10998–11004. https://doi.org/10.1063/1.481739 Ahlborn, H., Space, B., & Moore, P. B. (2000). The effect of isotopic substitution and detailed balance on the infrared spectroscopy of water: A combined time correlation function and instantaneous normal mode analysis. The Journal of Chemical Physics, 112(18), 8083–8088. https://doi.org/10.1063/1.481408 Ahlborn, H., Ji, X., Space, B., & Moore, P. B. (1999). A combined instantaneous normal mode and time correlation function description of the infrared vibrational spectrum of ambient water. The Journal of Chemical Physics, 111(23), 10622–10632. https://doi.org/10.1063/1.480415 Esposito, E. X., Juliani, J., & Space, B. (1998). Electrostatic potential surfaces and geometries of novel N-acylglycine substrates for peptididylglycine A-amidating enzyme via electronic structure calculations and comparison with crystal structures. Abstracts of Papers of the American Chemical Society, 216, 711–711. Ahlborn, H. L., Space, B., Ji, X. D., & Moore, P. B. (1998). Instantaneous normal mode theory of condensed phase absorption. Abstracts of Papers of the American Chemical Society, 216, 765–765. Esposito, E. X., Space, B., & Manner, B. (1998). The Utilization of Electronics Structure Calculations and Crystal Structures for the Structural Comparison of Novel N-Acylglycine Substrates for Peptidylglycine -Amidating Enzyme. Pennsylvania Academy of Science Publications, 71, 170–170. Ji, X. D., Space, B., & Ahlborn, H. (1998). The infrared spectra of water from quantum mechanical and classical instantaneous normal mode (INM) theories. Abstracts of Papers of the American Chemical Society, 216, 760–760. Esposito, E. X., & Space, B. (1998). The structural comparison of novel N-acylglycine substrates for peptidylglycine alpha-amidating enzyme through the utilization of electronic structure calculations and crystal structures. Abstracts of Papers of the American Chemical Society, 215, 218–218. Space, B., & Bowen, F. (1997). The origin and molecularly detailed calculation of the effective mass of excess electrons in condensed xenon. Abstracts of Papers of the American Chemical Society, 214, 66- PHYS. Esposito, E. X., Space, B., & Merkler, D. (1997). The structural activity relationship of novel N-Acylglycine substrates for peptidylglycine alpha-amidating enzyme through the utilization of computational chemistry. Abstracts of Papers of the American Chemical Society, 214, 133–CHED. Space, B., & Coker, D. F. (1992). Dynamics of trapping and localization of excess electrons in simple fluids. The Journal of Chemical Physics, 96(1), 652–663. https://doi.org/10.1063/1.462449 Space, B. (1992). Energetics and dynamics of excess electrons in simple fluids (Ph. D. Thesis). Boston University, Boston, MA. Space, B., & Coker, D. F. (1992). Nonadiabatic Dynamics of Excess Electrons in Molten-Salts. Abstracts of Papers of the American Chemical Society, 203, 271- PHYS. Coker, D. F., & Space, B. (1992). Nonadiabatic Trapping and Localization Mechanisms of Excess Electrons in Fluids. Abstracts of Papers of the American Chemical Society, 203, 273– PHYS. Space, B., & Coker, D. F. (1991). Nonadiabatic dynamics of excited excess electrons in simple fluids. The Journal of Chemical Physics, 94(3), 1976–1984. https://doi.org/10.1063/1.459920 Poliakoff, E. D., Kelly, L. A., Duffy, L. M., Space, B., Roy, P., Southworth, S. H., & White, M. G. (1989). Interchannel interactions following shape resonant excitation of core electrons. Chemical Physics, 129(1), 65–71. https://doi.org/10.1016/0301-0104(89)80019-9 Kelly, L. A., Duffy, L. M., Space, B., Poliakoff, E. D., Roy, P., Southworth, S. H., & White, M. G. (1989). Vibrationally resolved shape resonant photoionization of N2O. The Journal of Chemical Physics, 90(3), 1544–1550. https://doi.org/10.1063/1.456097 Poliakoff, E. D., Kelly, L. A., Duffy, L. M., Space, B., Roy, P., Southworth, S. H., & White, M. G. (1988). Vibrationally resolved electronic autoionization of core–hole resonances. The Journal of Chemical Physics, 89(7), 4048–4053. https://doi.org/10.1063/1.454838