Publications of Peng Zhang

Preprints

  1. Sha, R; Xiang, L; Liu, C; Balaeff, A; Zhang, Y; Zhang, P; Li, Y; Beratan, D; Tao, N; Seeman, N, "Charge splitters and charge transport junctions based on guanine quadruplexes", Abstracts of Papers of the American Chemical SocietyAugust,, 2018, 256, 2 pages, AMER CHEMICAL SOC.

  2. Valdiviezo, J; Zhang, P; Beratan, D, "Ratchet mechanisms for directional charge transport in molecular structures", Abstracts of Papers of the American Chemical SocietyAugust,, 2018, 256, 1 pages, AMER CHEMICAL SOC.

  3. Ru, X; Zhang, P; Beratan, D, "Theoretical studies of cytochrome c peroxidase - cytochrome c electron transfer: The role of tryptophan", Abstracts of Papers of the American Chemical SocietyMarch,, 2018, 255, 1 pages, AMER CHEMICAL SOC.

  4. Bai, Y; Rawson, J; Jean-Hubert, O; Zhang, P; Therien, M, "Regulating long-wavelength absorptivity and phoptphysics of oligo(porphinato)metal(II) chromophores through variation of electronically excited state proquinoidal character", Abstracts of Papers of the American Chemical SocietyAugust,, 2016, 252, 1 pages, AMER CHEMICAL SOC.

  5. Liu, C; Zhang, Y; Zhang, P; Beratan, D, "Engineering nanometer-scale coherence in soft matter", Abstracts of Papers of the American Chemical SocietyMarch,, 2016, 251, 1 pages, AMER CHEMICAL SOC.

  6. Rupakheti, C; Al-Saadon, R; Zhang, P; Virshup, A; Beratan, D; Yang, W, "Development of property-biased diversity-oriented molecular libraries: Applications to organic light emitting diodes", Abstracts of Papers of the American Chemical SocietyAugust,, 2015, 250, 1 pages, AMER CHEMICAL SOC.

  7. Yue, Y; Grusenmeyer, T; Zheng, M; Zhang, P; Schmehl, R; Beratan, D; Rubtsov, I, "Electron transfer rate modulation in a compact Re(I) donor-acceptor complex", Abstracts of Papers of the American Chemical SocietyMarch,, 2015, 249.

  8. Lin, J; Migliore, A; Skourtis, SS; Virshup, A; Zhang, P; Beratan, DN, "Addressing solar energy design and optimization challenges with theory", Abstracts of Papers of the American Chemical SocietyAugust,, 2014, 248.

  9. Tscherbul, TV; Zhang, P; Sadeghpour, HR; Dalgarno, A, "Collision-induced spin exchange of alkali-metal atoms with 3He", Journal of Physics: Conference SeriesDecember,, 2009, 194(12), 122006-122006, IOP Publishing [doi[abs].

Journal Articles

  1. Peters, JW; Beratan, DN; Bothner, B; Dyer, RB; Harwood, CS; Heiden, ZM; Hille, R; Jones, AK; King, PW; Lu, Y; Lubner, CE; Minteer, SD; Mulder, DW; Raugei, S; Schut, GJ; Seefeldt, LC; Tokmina-Lukaszewska, M; Zadvornyy, OA; Zhang, P; Adams, MW, "A new era for electron bifurcation.", Current Opinion in Chemical BiologyDecember,, 2018, 47, 32-38 [doi[abs].

  2. Yang, B; Zhang, P; Qu, C; Stancil, PC; Bowman, JM; Balakrishnan, N; Forrey, RC, "Inelastic vibrational dynamics of CS in collision with H2 using a full-dimensional potential energy surface.", Physical Chemistry Chemical Physics : PccpNovember,, 2018, 20(45), 28425-28434 [doi[abs].

  3. Bloom, BP; Liu, R; Zhang, P; Ghosh, S; Naaman, R; Beratan, DN; Waldeck, DH, "Directing Charge Transfer in Quantum Dot Assemblies.", Accounts of Chemical ResearchOctober,, 2018, 51(10), 2565-2573 [doi[abs].

  4. Ma, Z; Antoniou, P; Zhang, P; Skourtis, SS; Beratan, DN, "A Nonequilibrium Molecular Dynamics Study of Infrared Perturbed Electron Transfer.", Journal of Chemical Theory and ComputationSeptember,, 2018, 14(9), 4818-4832 [doi[abs].

  5. Ma, Z; Lin, Z; Lawrence, CM; Rubtsov, IV; Antoniou, P; Skourtis, SS; Zhang, P; Beratan, DN, "How can infra-red excitation both accelerate and slow charge transfer in the same molecule?", Chem. Sci.August,, 2018, 9(30), 6395-6405 [doi[abs].

  6. Sha, R; Xiang, L; Liu, C; Balaeff, A; Zhang, Y; Zhang, P; Li, Y; Beratan, DN; Tao, N; Seeman, NC, "Charge splitters and charge transport junctions based on guanine quadruplexes.", Nature NanotechnologyApril,, 2018, 13(4), 316-321 [doi[abs].

  7. Liu, R; Bloom, BP; Waldeck, DH; Zhang, P; Beratan, DN, "Improving Solar Cell Performance Using Quantum Dot Triad Charge-Separation Engines", The Journal of Physical Chemistry CMarch,, 2018, 122(11), 5924-5934, American Chemical Society (ACS) [doi[abs].

  8. Yang, B; Zhang, P; Qu, C; Wang, XH; Stancil, PC; Bowman, JM; Balakrishnan, N; McLaughlin, BM; Forrey, RC, "Full-Dimensional Quantum Dynamics of SiO in Collision with H2.", The Journal of Physical Chemistry AFebruary,, 2018, 122(6), 1511-1520 [doi[abs].

  9. Zhang, P; Yuly, JL; Lubner, CE; Mulder, DW; King, PW; Peters, JW; Beratan, DN, "Electron Bifurcation: Thermodynamics and Kinetics of Two-Electron Brokering in Biological Redox Chemistry.", Accounts of Chemical ResearchSeptember,, 2017, 50(9), 2410-2417 [doi[abs].

  10. Bai, Y; Rawson, J; Roget, SA; Olivier, J-H; Lin, J; Zhang, P; Beratan, DN; Therien, MJ, "Controlling the excited-state dynamics of low band gap, near-infrared absorbers via proquinoidal unit electronic structural modulation.", Chem. Sci.September,, 2017, 8(9), 5889-5901 [doi[abs].

  11. Liu, R; Bloom, BP; Waldeck, DH; Zhang, P; Beratan, DN, "Controlling the Electron-Transfer Kinetics of Quantum-Dot Assemblies", The Journal of Physical Chemistry CJuly,, 2017, 121(27), 14401-14412, American Chemical Society (ACS) [doi[abs].

  12. Beall, E; Ulku, S; Liu, C; Wierzbinski, E; Zhang, Y; Bae, Y; Zhang, P; Achim, C; Beratan, DN; Waldeck, DH, "Effects of the Backbone and Chemical Linker on the Molecular Conductance of Nucleic Acid Duplexes.", Journal of the American Chemical SocietyMay,, 2017, 139(19), 6726-6735 [doi[abs].

  13. Zhang, Y; Zhang, WB; Liu, C; Zhang, P; Balaeff, A; Beratan, DN, "DNA charge transport: Moving beyond 1D", Surface ScienceOctober,, 2016, 652, 33-38, Elsevier BV [doi[abs].

  14. Liu, C; Xiang, L; Zhang, Y; Zhang, P; Beratan, DN; Li, Y; Tao, N, "Engineering nanometre-scale coherence in soft matter.", Nature ChemistryOctober,, 2016, 8(10), 941-945 [doi[abs].

  15. Yang, B; Balakrishnan, N; Zhang, P; Wang, X; Bowman, JM; Forrey, RC; Stancil, PC, "Full-dimensional quantum dynamics of CO in collision with H2.", The Journal of Chemical PhysicsJuly,, 2016, 145(3), 034308 [doi[abs].

  16. Liu, C; Beratan, DN; Zhang, P, "Coarse-Grained Theory of Biological Charge Transfer with Spatially and Temporally Correlated Noise.", Journal of Physical Chemistry BApril,, 2016, 120(15), 3624-3633 [doi[abs].

  17. Rupakheti, C; Al-Saadon, R; Zhang, Y; Virshup, AM; Zhang, P; Yang, W; Beratan, DN, "Diverse Optimal Molecular Libraries for Organic Light-Emitting Diodes.", Journal of Chemical Theory and ComputationApril,, 2016, 12(4), 1942-1952 [doi[abs].

  18. Yue, Y; Grusenmeyer, T; Ma, Z; Zhang, P; Pham, TT; Mague, JT; Donahue, JP; Schmehl, RH; Beratan, DN; Rubtsov, IV, "Correction to "Evaluating the Extent of Intramolecular Charge Transfer in the Excited States of Rhenium(I) Donor-Acceptor Complexes with Time-Resolved Vibrational Spectroscopy".", Journal of Physical Chemistry BJanuary,, 2016, 120(3), 596 [doi].

  19. Yue, Y; Grusenmeyer, T; Ma, Z; Zhang, P; Schmehl, RH; Beratan, DN; Rubtsov, IV, "Correction to Full Electron Ligand-to-Ligand Charge Transfer in a Compact Rhenium(I) Complex.", The Journal of Physical Chemistry AJanuary,, 2016, 120(3), 473 [doi].

  20. Yue, Y; Grusenmeyer, T; Ma, Z; Zhang, P; Schmehl, RH; Beratan, DN; Rubtsov, IV, "Correction: Electron transfer rate modulation in a compact Re(i) donor-acceptor complex.", Dalton Transactions (Cambridge, England : 2003)January,, 2016, 45(2), 842 [doi[abs].

  21. Antoniou, P; Ma, Z; Zhang, P; Beratan, DN; Skourtis, SS, "Vibrational control of electron-transfer reactions: a feasibility study for the fast coherent transfer regime.", Physical Chemistry Chemical Physics : PccpDecember,, 2015, 17(46), 30854-30866 [doi[abs].

  22. Lin, J; Balamurugan, D; Zhang, P; Skourtis, SS; Beratan, DN, "Two-Electron Transfer Pathways.", Journal of Physical Chemistry BJune,, 2015, 119(24), 7589-7597 [doi[abs].

  23. Yue, Y; Grusenmeyer, T; Ma, Z; Zhang, P; Schmehl, RH; Beratan, DN; Rubtsov, IV, "Electron transfer rate modulation in a compact Re(I) donor-acceptor complex.", Dalton Transactions (Cambridge, England : 2003)May,, 2015, 44(18), 8609-8616 [doi[abs].

  24. Beratan, DN; Liu, C; Migliore, A; Polizzi, NF; Skourtis, SS; Zhang, P; Zhang, Y, "Charge transfer in dynamical biosystems, or the treachery of (static) images.", Accounts of Chemical ResearchFebruary,, 2015, 48(2), 474-481 [doi[abs].

  25. Zhang, D; Peng, D; Zhang, P; Yang, W, "Analytic gradients, geometry optimization and excited state potential energy surfaces from the particle-particle random phase approximation.", Physical Chemistry Chemical Physics : PccpJanuary,, 2015, 17(2), 1025-1038 [doi[abs].

  26. Yang, B; Zhang, P; Wang, X; Stancil, PC; Bowman, JM; Balakrishnan, N; Forrey, RC, "Quantum dynamics of CO-H₂ in full dimensionality.", Nature CommunicationsJanuary,, 2015, 6, 6629 [doi[abs].

  27. Peng, D; Yang, Y; Zhang, P; Yang, W, "Restricted second random phase approximations and Tamm-Dancoff approximations for electronic excitation energy calculations.", The Journal of Chemical PhysicsDecember,, 2014, 141(21), 214102 [doi[abs].

  28. Yue, Y; Grusenmeyer, T; Ma, Z; Zhang, P; Schmehl, RH; Beratan, DN; Rubtsov, IV, "Full-electron ligand-to-ligand charge transfer in a compact Re(I) complex.", The Journal of Physical Chemistry ANovember,, 2014, 118(45), 10407-10415 [doi[abs].

  29. Yue, Y; Grusenmeyer, T; Ma, Z; Zhang, P; Pham, TT; Mague, JT; Donahue, JP; Schmehl, RH; Beratan, DN; Rubtsov, IV, "Evaluating the extent of intramolecular charge transfer in the excited states of rhenium(I) donor-acceptor complexes with time-resolved vibrational spectroscopy.", Journal of Physical Chemistry BDecember,, 2013, 117(49), 15903-15916 [24117405], [doi[abs].

  30. Lin, J; Hu, X; Zhang, P; Van Rynbach, A; Beratan, DN; Kent, CA; Mehl, BP; Papanikolas, JM; Meyer, TJ; Lin, W; Skourtis, SS; Constantinou, M, "Triplet excitation energy dynamics in metal-organic frameworks", The Journal of Physical Chemistry COctober,, 2013, 117(43), 22250-22259, American Chemical Society (ACS) [Gateway.cgi], [doi[abs].

  31. Bloom, BP; Zhao, LB; Wang, Y; Waldeck, DH; Liu, R; Zhang, P; Beratan, DN, "Ligand-induced changes in the characteristic size-dependent electronic energies of CdSe nanocrystals", The Journal of Physical Chemistry COctober,, 2013, 117(43), 22401-22411, American Chemical Society (ACS) [Gateway.cgi], [doi[abs].

  32. Gacesa, M; Zhang, P; Kharchenko, V, "Non-thermal escape of molecular hydrogen from Mars", Geophysical Research LettersMay,, 2012, 39(10), n/a-n/a, American Geophysical Union (AGU) [doi[abs].

  33. Loreau, J; Zhang, P; Dalgarno, A, "Scattering of nitrogen molecules by silver atoms", The Journal of Chemical PhysicsApril,, 2012, 136(16) [Gateway.cgi], [doi].

  34. Lewkow, NR; Kharchenko, V; Zhang, P, "Energy relaxation of helium atoms in astrophysical gases", The Astrophysical JournalJanuary,, 2012, 756(1), 57-57, IOP Publishing [Gateway.cgi], [doi[abs].

  35. Zhang, P; Dalgarno, A; Côté, R; Bodo, E, "Charge exchange in collisions of beryllium with its ion", Physical Chemistry Chemical Physics : PccpNovember,, 2011, 13(42), 19026-19035, Royal Society of Chemistry (RSC) [doi[abs].

  36. Brahms, N; Tscherbul, TV; Zhang, P; Kłos, J; Forrey, RC; Au, YS; Sadeghpour, HR; Dalgarno, A; Doyle, JM; Walker, TG, "Formation and dynamics of van der Waals molecules in buffer-gas traps", Physical Chemistry Chemical Physics : PccpNovember,, 2011, 13(42), 19125-19141, Royal Society of Chemistry (RSC) [doi[abs].

  37. Loreau, J; Zhang, P; Dalgarno, A, "Elastic scattering and rotational excitation of nitrogen molecules by sodium atoms", The Journal of Chemical PhysicsNovember,, 2011, 135(17), 174301-174301, AIP Publishing [doi[abs].

  38. Bovino, S; Zhang, P; Kharchenko, V; Dalgarno, A, "Relaxation of energetic S(1D) atoms in Xe gas: Comparison of ab initio calculations with experimental data", The Journal of Chemical PhysicsJuly,, 2011, 135(2), 024304-024304, AIP Publishing [doi[abs].

  39. Tscherbul, TV; Zhang, P; Sadeghpour, HR; Dalgarno, A, "Anisotropic hyperfine interactions limit the efficiency of spin-exchange optical pumping of He3 nuclei", Physical Review LettersJuly,, 2011, 107(2), American Physical Society (APS) [doi[abs].

  40. Bovino, S; Zhang, P; Gianturco, FA; Dalgarno, A; Kharchenko, V, "Energy transfer in O collisions with He isotopes and Helium escape from Mars", Geophysical Research LettersJanuary,, 2011, 38(2), n/a-n/a, American Geophysical Union (AGU) [doi[abs].

  41. Zhang, P; Sadeghpour, HR; Dalgarno, A, "Structure and spectroscopy of ground and excited states of LiYb", The Journal of Chemical PhysicsJuly,, 2010, 133(4), 044306-044306, AIP Publishing [doi[abs].

  42. Brahms, N; Tscherbul, TV; Zhang, P; Kłos, J; Sadeghpour, HR; Dalgarno, A; Doyle, JM; Walker, TG, "Erratum: Formation of van der waals molecules in buffer-gas-cooled magnetic traps (Physical Review Letters (2010) 105 (033001))", Physical Review LettersJuly,, 2010, 105(5), American Physical Society (APS) [doi].

  43. Brahms, N; Tscherbul, TV; Zhang, P; Kłos, J; Sadeghpour, HR; Dalgarno, A; Doyle, JM; Walker, TG, "Formation of Van der Waals molecules in buffer-gas-cooled magnetic traps", Physical Review LettersJuly,, 2010, 105(3), American Physical Society (APS) [doi[abs].

  44. Zhang, P; Bodo, E; Dalgarno, A, "Near resonance charge exchange in ion-atom collisions of lithium isotopes", The Journal of Physical Chemistry ADecember,, 2009, 113(52), 15085-15091, American Chemical Society (ACS) [doi[abs].

  45. Zhang, P; Kharchenko, V; Dalgarno, A; Matsumi, Y; Nakayama, T; Takahashi, K, "Zhang et al. reply", Physical Review LettersOctober,, 2009, 103(15), American Physical Society (APS) [doi].

  46. Zhang, P; Dalgarno, A; Côté, R, "Scattering of Yb and Yb+", Physical Review ASeptember,, 2009, 80(3), American Physical Society (APS) [doi[abs].

  47. Bovino, S; Zhang, P; Kharchenko, V; Dalgarno, A, "Trapping hydrogen atoms from a neon-gas matrix: A theoretical simulation", The Journal of Chemical PhysicsAugust,, 2009, 131(5), 054302-054302, AIP Publishing [doi[abs].

  48. Tscherbul, TV; Zhang, P; Sadeghpour, HR; Dalgarno, A, "Collision-induced spin exchange of alkali-metal atoms with H3 e: An ab initio study", Physical Review AJune,, 2009, 79(6), American Physical Society (APS) [doi[abs].

  49. Zhang, P; Maeda, S; Morokuma, K; Braams, BJ, "Photochemical reactions of the low-lying excited states of formaldehyde: T 1 / S 0 intersystem crossings, characteristics of the S 1 and T 1 potential energy surfaces, and a global T 1 potential energy surface", The Journal of Chemical PhysicsApril,, 2009, 130(11), 114304-114304, AIP Publishing [doi[abs].

  50. Wang, Z; Kerkines, ISK; Morokuma, K; Zhang, P, "Analytical potential energy surfaces for N3 low-lying doublet states", The Journal of Chemical PhysicsFebruary,, 2009, 130(4), 044313-044313, AIP Publishing [doi[abs].

  51. Zhang, P; Kharchenko, V; Jamieson, MJ; Dalgarno, A, "Energy relaxation in collisions of hydrogen and deuterium with oxygen atoms", Journal of Geophysical Research: Space PhysicsJanuary,, 2009, 114(7), n/a-n/a, American Geophysical Union (AGU) [doi[abs].

  52. Kerkines, ISK; Wang, Z; Zhang, P; Morokuma, K, "Structures and energies of low-lying doublet excited states of N3 from accurate configuration interaction calculations", Molecular PhysicsJanuary,, 2009, 107(8-12), 1017-1025, Informa UK Limited [doi[abs].

  53. Tscherbul, TV; Zhang, P; Sadeghpour, HR; Dalgarno, A; Brahms, N; Au, YS; Doyle, JM, "Collision-induced spin depolarization of alkali-metal atoms in cold He3 gas", Physical Review ADecember,, 2008, 78(6), American Physical Society (APS) [doi[abs].

  54. Shepler, BC; Epifanovsky, E; Zhang, P; Bowman, JM; Krylov, AI; Morokuma, K, "Photodissociation dynamics of formaldehyde initiated at the T 1/S0 minimum energy crossing configurations", The Journal of Physical Chemistry ADecember,, 2008, 112(51), 13267-13270, American Chemical Society (ACS) [doi[abs].

  55. Kerkines, ISK; Wang, Z; Zhang, P; Morokuma, K, "Photodissociation of ClN3 at 157 nm: Theory suggests a pathway leading to cyclic CN3", The Journal of Chemical PhysicsNovember,, 2008, 129(17), 171101-171101, AIP Publishing [doi[abs].

  56. Zhang, P; Dalgarno, A, "Long-range interactions of ytterbium atoms", Molecular PhysicsJune,, 2008, 106(12-13), 1525-1529, Informa UK Limited [doi[abs].

  57. Bodo, E; Zhang, P; Dalgarno, A, "Ultra-cold ion-atom collisions: Near resonant charge exchange", New Journal of PhysicsMarch,, 2008, 10(3), 033024-033024, IOP Publishing [doi[abs].

  58. Zhang, P; Kharchenko, V; Dalgarno, A; Matsumi, Y; Nakayama, T; Takahashi, K, "Approach to thermal equilibrium in atomic collisions", Physical Review LettersMarch,, 2008, 100(10), American Physical Society (APS) [doi[abs].

  59. Zhang, P; Dalgarno, A, "Static dipole polarizability of ytterbium", The Journal of Physical Chemistry ADecember,, 2007, 111(49), 12471-12476, American Chemical Society (ACS) [doi[abs].

  60. Shepler, BC; Yang, BH; Dhilip Kumar, TJ; Stancil, PC; Bowman, JM; Balakrishnan, N; Zhang, P; Bodo, E; Dalgarno, A, "Low energy H+CO scattering revisited CO rotational excitation with new potential surfaces", Astronomy and AstrophysicsNovember,, 2007, 475(2), L15-L18, E D P SCIENCES [doi[abs].

  61. Zhang, P; Kharchenko, V; Dalgarno, A, "Thermalization of suprathermal N(4S) atoms in He and Ar gases", Molecular PhysicsJune,, 2007, 105(11-12), 1487-1496, Informa UK Limited [doi[abs].

  62. Zhang, J; Zhang, P; Chen, Y; Yuan, K; Harich, SA; Wang, X; Wang, Z; Yang, X; Morokuma, K; Wodtke, AM, "An experimental and theoretical study of ring closing dynamics in HN3.", Physical Chemistry Chemical Physics : PccpApril,, 2006, 8(14), 1690-1696 [doi[abs].

  63. Midey, AJ; Fernandez, AI; Viggiano, AA; Zhang, P; Morokuma, K, "Ion chemistry of NOO +", The Journal of Chemical PhysicsMarch,, 2006, 124(11), 114313-114313, AIP Publishing [doi[abs].

  64. Midey, AJ; Viggiano, AA; Zhang, P; Irle, S; Morokuma, K, "A study of the reaction of N + with O 2: Experimental quantification of NO +(a 3+) production (298-500 K) and computational study of the overall reaction pathways", The Journal of Physical Chemistry AMarch,, 2006, 110(9), 3080-3086, American Chemical Society (ACS) [doi[abs].

  65. Babikov, D; Kendrick, BK; Zhang, P; Morokuma, K, "Cyclic-N3. II. Significant geometric phase effects in the vibrational spectra", The Journal of Chemical PhysicsAugust,, 2005, 122(4), 044315-044315, AIP Publishing [doi[abs].

  66. Zhang, P; Morokuma, K; Wodtke, AM, "High-level ab initio studies of unimolecular dissociation of the ground-state N 3 radical", The Journal of Chemical PhysicsAugust,, 2005, 122(1), 014106-014106, AIP Publishing [doi[abs].

  67. Liu, J; Zhang, P; Morokuma, K; Sharma, RD, "A new mechanism for the production of highly vibrationally excited OH in the mesosphere: An ab initio study of the reactions of O2 (A ∑u+3 and A′ Δu3) +H", The Journal of Chemical PhysicsMarch,, 2005, 122(10), 104315-104315, AIP Publishing [doi[abs].

  68. Popovic, S; Midey, AJ; Williams, S; Fernandez, AI; Viggiano, AA; Zhang, P; Morokuma, K, "Ion-molecule rate constants and branching ratios for the reaction of N 3++O 2 from 120 to 1400 K", The Journal of Chemical PhysicsNovember,, 2004, 121(19), 9481-9488, AIP Publishing [doi[abs].

  69. Babikov, D; Zhang, P; Morokuma, K, "Cyclic-N 3. I. An accurate potential energy surface for the ground doublet electronic state up to the energy of the 2A 2/ 2B 1 conical intersection", The Journal of Chemical PhysicsOctober,, 2004, 121(14), 6743-6749, AIP Publishing [doi[abs].

  70. Zhang, P; Irle, S; Morokuma, K; Tschumper, GS, "Ab initio theoretical studies of potential energy surfaces in the photodissociation of the vinyl radical. I. Ã state dissociation", The Journal of Chemical PhysicsOctober,, 2003, 119(13), 6524-6538, AIP Publishing [doi[abs].

  71. Zhang, P; Morokuma, K, "Ab initio molecular orbital study of the weak C̃2A′ ← X̃2A′ transition of the vinyl radical", Chemical Physics LettersJanuary,, 2003, 367(3-4), 482-488, Elsevier BV [doi[abs].