23. Azofra LM, Scheiner S (2015) Tetrel, chalcogen, and CH··O hydrogen bonds in complexes
pairing carbonyl-containing molecules with 1, 2, and 3 molecules of CO 2 . J Chem Phys
142(3):034307–034309. doi:10.1063/1.4905899
24. Lundberg JK, Field RW, Sherrill CD, Seidl ET, Xie Y, Schaefer HF (1993) Acetylene—
synergy between theory and experiment. J Chem Phys 98(11):8384–8391. doi:10.1063/1.
464496
25. Ladurner AG, Itzhaki LS, Daggett V, Fersht AR (1998) Synergy between simulation and
experiment in describing the energy landscape of protein folding. Proc Nat Acad Sci USA 95
(15):8473–8478. doi:10.1073/pnas.95.15.8473
26. Shoeib T, Hopkinson AC, Siu KWM (2001) Collision-induced dissociation of the Ag +proline complex: fragmentation pathways and reaction mechanisms—a synergy between
experiment and theory. J Phys Chem B 105(49):12399–12409. doi:10.1021/jp012335o
27. Alcamí M, Mó O, Yáñez M (2001) Computational chemistry. a useful (some times
mandatory) tool in mass spectrometry studies. Mass Spectrom Rev 20:195–245
28. Medina AS, Claessens CG, Rahman GMA, Lamsabhi AM, Mó O, Yáñez M, Guldi DM,
Torres T (2008) Accelerating charge transfer in a triphenylaminesubphthalocyanine
donor-acceptor system. Chem Commun 15:1759–1761
29. McGrady J (2009) The synergy between theory and experiment. Dalton Trans (30):5819–
5819. doi:10.1039/b912487j
30. Mu WH, Chasse GA, Fang DC (2009) A synergy between experiment and theory for the
formation of pyridine and pyrrole derivatives from selected butadienes and organolithium
reagents: mechanism, solvent, and substituent effect. Organometallics 28(20):5848–5856.
doi:10.1021/om900242g
31. Sierka M (2010) Synergy between theory and experiment in structure resolution of
low-dimensional oxides. Prog Surf Sci 85(9–12):398–434. doi:10.1016/j.progsurf.2010.07.
004
32. Faza ON, Feldman KS, Lopez CS (2010) Cyclization cascade of allenyl azides: synergy
between theory and experiment. Curr Org Chem 14(15):1646–1657
33. Pettersson L, Nilsson A (2014) A molecular perspective on the d-band model: synergy
between experiment and theory. Top Catal 57(1–4):2–13. doi:10.1007/s11244-013-0157-4
34. Lupp D, Christensen NJ, Fristrup P (2014) Synergy between experimental and theoretical
methods in the exploration of homogeneous transition metal catalysis. Dalton Trans 43
(29):11093–11105. doi:10.1039/c4dt00342j
35. Clot E (2014) Synergy between experiment and theory. Dalton Trans 43(29):11092–11092.
doi:10.1039/c4dt90087a
36. Reed AE, Curtiss LA, Weinhold F (1988) Intermolecular interactions from a natural bond
orbital, donor-acceptor viewpoint. Chem Rev 88(6):899–926. doi:10.1021/cr00088a005
37. Rozenberg M, Loewenschuss A, Marcus Y (2000) An empirical correlation between
stretching vibration redshift and hydrogen bond length. Phys Chem Chem Phys 2(12):2699–
2702. doi:10.1039/b002216k
38. Mó O, Yáñez M, Alkorta I, Elguero J (2012) Modulating the strength of hydrogen bonds
through beryllium bonds. J Chem Theory Comput 8:2293–2300
39. Yáñez M, Mó O, Alkorta I, Elguero J (2013) Can conventional bases and unsaturated
hydrocarbons be changed into gas-phase superacids stronger than most of the known
oxyacids? the role of Beryllium bonds. Chem Eur J 35:11637–11643. doi:10.1002/chem.
201300808
40. Montero-Campillo MM, Lamsabhi AM, Mó O, Yáñez M (2013) Modulating weak
intramolecular interactions through the formation of beryllium bonds: complexes between
squaric acid and BeH2. J Mol Model 19(7):2759–2766. doi:10.1007/s00894-012-1603-0
41. Yáñez M, Mó O, Alkorta I, Elguero J (2013) Spontaneous ion-pair formation in the gas phase
induced by Beryllium bonds. Chem Phys Lett 590:22–26
42. Mó O, Yáñez M, Alkorta I, Elguero J (2014) Spontaneous proton transfers induced by
Beryllium bonds. Mol Phys 112:592–600
17 Charge Transfer in Beryllium Bonds and Cooperativity …
485
pairing carbonyl-containing molecules with 1, 2, and 3 molecules of CO 2 . J Chem Phys
142(3):034307–034309. doi:10.1063/1.4905899
24. Lundberg JK, Field RW, Sherrill CD, Seidl ET, Xie Y, Schaefer HF (1993) Acetylene—
synergy between theory and experiment. J Chem Phys 98(11):8384–8391. doi:10.1063/1.
464496
25. Ladurner AG, Itzhaki LS, Daggett V, Fersht AR (1998) Synergy between simulation and
experiment in describing the energy landscape of protein folding. Proc Nat Acad Sci USA 95
(15):8473–8478. doi:10.1073/pnas.95.15.8473
26. Shoeib T, Hopkinson AC, Siu KWM (2001) Collision-induced dissociation of the Ag +proline complex: fragmentation pathways and reaction mechanisms—a synergy between
experiment and theory. J Phys Chem B 105(49):12399–12409. doi:10.1021/jp012335o
27. Alcamí M, Mó O, Yáñez M (2001) Computational chemistry. a useful (some times
mandatory) tool in mass spectrometry studies. Mass Spectrom Rev 20:195–245
28. Medina AS, Claessens CG, Rahman GMA, Lamsabhi AM, Mó O, Yáñez M, Guldi DM,
Torres T (2008) Accelerating charge transfer in a triphenylaminesubphthalocyanine
donor-acceptor system. Chem Commun 15:1759–1761
29. McGrady J (2009) The synergy between theory and experiment. Dalton Trans (30):5819–
5819. doi:10.1039/b912487j
30. Mu WH, Chasse GA, Fang DC (2009) A synergy between experiment and theory for the
formation of pyridine and pyrrole derivatives from selected butadienes and organolithium
reagents: mechanism, solvent, and substituent effect. Organometallics 28(20):5848–5856.
doi:10.1021/om900242g
31. Sierka M (2010) Synergy between theory and experiment in structure resolution of
low-dimensional oxides. Prog Surf Sci 85(9–12):398–434. doi:10.1016/j.progsurf.2010.07.
004
32. Faza ON, Feldman KS, Lopez CS (2010) Cyclization cascade of allenyl azides: synergy
between theory and experiment. Curr Org Chem 14(15):1646–1657
33. Pettersson L, Nilsson A (2014) A molecular perspective on the d-band model: synergy
between experiment and theory. Top Catal 57(1–4):2–13. doi:10.1007/s11244-013-0157-4
34. Lupp D, Christensen NJ, Fristrup P (2014) Synergy between experimental and theoretical
methods in the exploration of homogeneous transition metal catalysis. Dalton Trans 43
(29):11093–11105. doi:10.1039/c4dt00342j
35. Clot E (2014) Synergy between experiment and theory. Dalton Trans 43(29):11092–11092.
doi:10.1039/c4dt90087a
36. Reed AE, Curtiss LA, Weinhold F (1988) Intermolecular interactions from a natural bond
orbital, donor-acceptor viewpoint. Chem Rev 88(6):899–926. doi:10.1021/cr00088a005
37. Rozenberg M, Loewenschuss A, Marcus Y (2000) An empirical correlation between
stretching vibration redshift and hydrogen bond length. Phys Chem Chem Phys 2(12):2699–
2702. doi:10.1039/b002216k
38. Mó O, Yáñez M, Alkorta I, Elguero J (2012) Modulating the strength of hydrogen bonds
through beryllium bonds. J Chem Theory Comput 8:2293–2300
39. Yáñez M, Mó O, Alkorta I, Elguero J (2013) Can conventional bases and unsaturated
hydrocarbons be changed into gas-phase superacids stronger than most of the known
oxyacids? the role of Beryllium bonds. Chem Eur J 35:11637–11643. doi:10.1002/chem.
201300808
40. Montero-Campillo MM, Lamsabhi AM, Mó O, Yáñez M (2013) Modulating weak
intramolecular interactions through the formation of beryllium bonds: complexes between
squaric acid and BeH2. J Mol Model 19(7):2759–2766. doi:10.1007/s00894-012-1603-0
41. Yáñez M, Mó O, Alkorta I, Elguero J (2013) Spontaneous ion-pair formation in the gas phase
induced by Beryllium bonds. Chem Phys Lett 590:22–26
42. Mó O, Yáñez M, Alkorta I, Elguero J (2014) Spontaneous proton transfers induced by
Beryllium bonds. Mol Phys 112:592–600
17 Charge Transfer in Beryllium Bonds and Cooperativity …
485