Quasi-relativistic study of nuclear electric quadrupole coupling constants in chiral molecules containing heavy elements

References

• G. Neyens, Rep. Prog. Phys. 66 (4), 633–689 (2003).
   Web of Science ®Google Scholar
• P. Pyykkö, Mol. Phys. 116 (10), 1328–1338 (2018).
   Web of Science ®Google Scholar
• P. Pyykkö and M. Seth, Theor. Chem. Acc. 96 (2), 92–104 (1997).
   Web of Science ®Google Scholar
• L. Visscher, T. Enevoldsen, T. Saue, and J. Oddershede, J. Chem. Phys. 109 (22), 9677–9684 (1998).
   Web of Science ®Google Scholar
• M.G. Kozlov and L.N. Labzowsky, J. Phys. B 28, 1933–1961 (1995).
   Web of Science ®Google Scholar
• K. Gaul, S. Marquardt, T. Isaev, and R. Berger, Phys. Rev. A 99, 032509 (2019).
   Google Scholar
• K. Gaul and R. Berger, J. Chem. Phys. 152 (4), 044101 (2020).
   PubMedGoogle Scholar
• S. Stopkowicz and J. Gauss, J. Chem. Phys. 129 (16), 164119 (2008).
   PubMedGoogle Scholar
• S. Stopkowicz and J. Gauss, J. Chem. Phys. 134 (20), 204106 (2011).
   PubMedGoogle Scholar
• L. Cheng and J. Gauss, J. Chem. Phys. 134 (24), 244112 (2011).
   PubMedGoogle Scholar
• M. Pernpointner, M. Seth, and P. Schwerdtfeger, J. Chem. Phys. 108 (16), 6722–6738 (1998).
   Web of Science ®Google Scholar
• J.N.P. van Stralen and L. Visscher, J. Chem. Phys. 117 (7), 3103–3108 (2002).
   Web of Science ®Google Scholar
• J.N.P. van Stralen and L. Visscher, Mol. Phys. 101 (13), 2115–2124 (2003).
   Web of Science ®Google Scholar
• R.L.A. Haiduke, A.B.F. da Silva, and L. Visscher, J. Chem. Phys. 125 (6), 064301 (2006).
   PubMedGoogle Scholar
• V. Arcisauskaite, S. Knecht, S.P.A. Sauer, and L. Hemmingsen, Phys. Chem. Chem. Phys. 14, 2651–2657 (2012).
   PubMed Web of Science ®Google Scholar
• E. van Lenthe and E.J. Baerends, J. Chem. Phys. 112, 8279–8292 (2000).
   Web of Science ®Google Scholar
• I. Malkin, O.L. Malkina, and V.G. Malkin, Chem. Phys. Lett. 361 (3), 231–236 (2002).
   Web of Science ®Google Scholar
• F. Neese, A. Wolf, T. Fleig, M. Reiher, and B.A. Hess, J. Chem. Phys. 122 (20), 204107 (2005).
   PubMedGoogle Scholar
• F. Aquino, N. Govind, and J. Autschbach, J. Chem. Theory Comput. 6 (9), 2669–2686 (2010). PMID: 26616068.
   PubMed Web of Science ®Google Scholar
• J. Autschbach, D. Peng, and M. Reiher, J. Chem. Theory Comput. 8 (11), 4239–4248 (2012). PMID: 26605587.
   PubMed Web of Science ®Google Scholar
• V. Arcisauskaite, S. Knecht, S.P.A. Sauer, and L. Hemmingsen, Phys. Chem. Chem. Phys. 14, 16070–16079 (2012).
   PubMed Web of Science ®Google Scholar
• C. Puzzarini, G. Cazzoli, A. Baldacci, A. Baldan, C. Michauk, and J. Gauss, J. Chem. Phys. 127 (16), 164302 (2007).
   PubMedGoogle Scholar
• G. Cazzoli, C. Puzzarini, S. Stopkowicz, and J. Gauss, Mol. Phys. 106 (9–10), 1181–1192 (2008).
   Web of Science ®Google Scholar
• C. Puzzarini, G. Cazzoli, J.C. López, J.L. Alonso, A. Baldacci, A. Baldan, S. Stopkowicz, L. Cheng, and J. Gauss, J. Chem. Phys. 134 (17), 174312 (2011).
   PubMedGoogle Scholar
• C. Puzzarini, G. Cazzoli, J.C. López, J.L. Alonso, A. Baldacci, A. Baldan, S. Stopkowicz, L. Cheng, and J. Gauss, J. Chem. Phys. 137 (2), 024310 (2012).
   PubMedGoogle Scholar
• A. Bauder, A. Beil, D. Luckhaus, F. Müller, and M. Quack, J. Chem. Phys. 106, 7558–7570 (1997).
   Web of Science ®Google Scholar
• P. Soulard, P. Asselin, A. Cuisset, J.R.A. Moreno, T.R. Huet, D. Petitprez, J. Demaison, T.B. Freedman, X.L. Cao, L.A. Nafie, and J. Crassous, Phys. Chem. Chem. Phys. 8, 79–92 (2006).
   PubMed Web of Science ®Google Scholar
• C. van Wüllen, J. Chem. Phys. 109, 392–399 (1998).
   Web of Science ®Google Scholar
• R. Berger and J. Stohner, Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (3), e1396 (2019).
   Google Scholar
• V.S. Letokhov, Phys. Lett. A 53, 275–276 (1975).
   Web of Science ®Google Scholar
• O.N. Kompanets, A.R. Kukudzhanov, V.S. Letokhov, and L.L. Gervits, Opt. Commun. 19, 414–416 (1976).
   Web of Science ®Google Scholar
• C. Daussy, T. Marrel, A. Amy-Klein, C.T. Nguyen, C.J. Bordé, and C. Chardonnet, Phys. Rev. Lett. 83, 1554–1557 (1999).
   Web of Science ®Google Scholar
• J.K. Laerdahl, P. Schwerdtfeger and H.M. Quiney, Phys. Rev. Lett 84, 3811–3814 (2000).
   PubMed Web of Science ®Google Scholar
• M. Quack and J. Stohner, Phys. Rev. Lett. 84, 3807–3810 (2000).
   PubMed Web of Science ®Google Scholar
• A. Soncini, A. Ligabue, P. Lazzeretti, and R. Zanasi, Phys. Rev. E 62, 8395–8399 (2000).
   Web of Science ®Google Scholar
• M. Ziskind, C. Daussy, T. Marrel, and C. Chardonnet, Eur. Phys. J. D 20, 219–225 (2002).
   Web of Science ®Google Scholar
• R. Berger and J.L. Stuber, Mol. Phys. 105, 41–49 (2007).
   Web of Science ®Google Scholar
• J. Cuisset, J.R.A. Moreno, T.R. Huet, D. Petitprez, J. Demaison, and J. Crassous, J. Phys. Chem. A 109, 5708–5716 (2005).
   PubMed Web of Science ®Google Scholar
• M. Pernpointner, P. Schwerdtfeger, and B.A. Hess, Int. J. of Quantum Chem. 76 (3), 371–384 (2000).
   Web of Science ®Google Scholar
• P. Fowler, P. Lazzeretti, E. Steiner, and R. Zanasi, Chem. Phys. 133 (2), 221–235 (1989).
   Web of Science ®Google Scholar
• C. van Wüllen, Z. Phys. Chem 224, 413–426 (2010).
   Google Scholar
• R. Berger, N. Langermann and C. van Wüllen, Phys. Rev. A 71, 042105 (2005).
   Web of Science ®Google Scholar
• R. Berger and C. van Wüllen, J. Chem. Phys. 122, 134316 (2005).
   PubMed Web of Science ®Google Scholar
• S. Nahrwold and R. Berger, J. Chem. Phys. 130 (21), 214101 (2009).
   PubMedGoogle Scholar
• T.A. Isaev and R. Berger, Phys. Rev. A 86, 062515 (2012).
   Web of Science ®Google Scholar
• K. Gaul and R. Berger, J. Chem. Phys. 147 (1), 014109 (2017).
   PubMedGoogle Scholar
• R. Ahlrichs, M. Bär, M. Häser, H. Horn, and C. Kölmel, Chem. Phys. Lett. 162, 165–169 (1989).
   Web of Science ®Google Scholar
• W. Kohn and L.J. Sham, Phys. Rev. 140, 1133–1138 (1965).
   Web of Science ®Google Scholar
• S.H. Vosko, L. Wilk, and M. Nuisar, Can. J. Phys. 58, 1200–1211 (1980).
   Web of Science ®Google Scholar
• P.A.M. Dirac, Proc. Cambridge Phil. Soc. 26, 376–385 (1930).
   Google Scholar
• C. Lee, W. Yang, and R.G. Parr, Phys. Rev. B 37, 785–789 (1988).
   PubMed Web of Science ®Google Scholar
• A.D. Becke, Phys. Rev. A 38, 3098–3100 (1988).
   PubMed Web of Science ®Google Scholar
• P.J. Stephens, F.J. Devlin, C.F. Chabalowski, and M.J. Frisch, J. Phys. Chem. 98, 11623–11627 (1994).
   Web of Science ®Google Scholar
• A.D. Becke, J. Chem. Phys. 98, 1372–1377 (1993).
   Web of Science ®Google Scholar
• A.D. Becke, J. Chem. Phys. 98, 5648–5652 (1993).
   Web of Science ®Google Scholar
• W. Liu, C. van Wüllen, F. Wang, and L. Li, J. Chem. Phys. 116, 3626–3634 (2002).
   Web of Science ®Google Scholar
• L. Visscher and K.G. Dyall, At. Data Nucl. Data Tables 67, 207–224 (1997).
   Web of Science ®Google Scholar
• F. Hobi, R. Berger and J. Stohner, Mol. Phys. 111 (14–15, SI), 2345–2362 (2013).
   Web of Science ®Google Scholar
• R.A. Hegstrom, D.W. Rein, and P.G.H. Sandars, J. Chem. Phys. 73, 2329–2341 (1980).
   Web of Science ®Google Scholar
• M. Seth, M. Pernpointner, G.A. Bowmaker, and P. Schwerdtfeger, Mol. Phys. 96 (12), 1767–1780 (1999).
   Web of Science ®Google Scholar
• W. Bailey and F. Gonzalez, J. Mol. Struct. 651-653, 689–695 (2003).
   Web of Science ®Google Scholar
• P. Schwerdtfeger, M. Pernpointner, and J.K. Laerdahl, J. Chem. Phys. 111 (8), 3357–3364 (1999).
   Web of Science ®Google Scholar
• R. Bast and P. Schwerdtfeger, J. Chem. Phys. 119 (12), 5988–5994 (2003).
   Web of Science ®Google Scholar
• A.A. Fokin, P.R. Schreiner, R. Berger, G.H. Robinson, P. Wei, and C.F. Campana, J. Am. Chem. Soc. 128, 5332–5333 (2006).
   PubMed Web of Science ®Google Scholar
• P.R. Schreiner, A.A. Fokin, O. Lauenstein, Y. Okamoto, T. Wakita, C. Rinderspacher, G.H. Robinson, J.K. Vohs and C.F. Campana, J. Am. Chem. Soc. 124 (45), 13348–13349 (2002). PMID: 12418863.
   PubMed Web of Science ®Google Scholar