Year |
Citation |
Score |
2019 |
Shaik S, Danovich D, Galbraith JM, Braida B, Wu W, Hiberty PC. Charge-Shift Bonding: A New and Unique Form of Bonding. Angewandte Chemie (International Ed. in English). PMID 31476104 DOI: 10.1002/Anie.201910085 |
0.723 |
|
2019 |
Galbraith JM, Schreiner PR, Harris N, Wei W, Wittkopp A, Shaik S. A valence bond study of the Bergman cyclization: geometric features, resonance energy, and nucleus-independent chemical shift (NICS) values Chemistry (Weinheim An Der Bergstrasse, Germany). 6: 1446-54. PMID 10840967 DOI: 10.1002/(Sici)1521-3765(20000417)6:8<1446::Aid-Chem1446>3.0.Co;2-I |
0.607 |
|
2018 |
Nemes CT, Laconsay CJ, Galbraith JM. Hydrogen bonding from a valence bond theory perspective: the role of covalency. Physical Chemistry Chemical Physics : Pccp. 20: 20963-20969. PMID 30070291 DOI: 10.1039/C8Cp03920H |
0.779 |
|
2017 |
James AM, Laconsay CJ, Galbraith JM. Charge-Shift Corrected Electronegativities and the Effect of Bond Polarity and Substituents on Covalent-Ionic Resonance Energy. The Journal of Physical Chemistry. A. PMID 28636364 DOI: 10.1021/Acs.Jpca.7B02988 |
0.752 |
|
2017 |
Laconsay CJ, Galbraith JM. A valence bond theory treatment of tetrel bonding interactions Computational and Theoretical Chemistry. 1116: 202-206. DOI: 10.1016/J.Comptc.2017.02.017 |
0.778 |
|
2016 |
Laconsay CJ, James AM, Galbraith JM. The Effect of Lone Pairs on Molecular Resonance Energy. The Journal of Physical Chemistry. A. PMID 27723345 DOI: 10.1021/Acs.Jpca.6B08245 |
0.759 |
|
2014 |
Galbraith JM, James AM, Nemes CT. The effect of diffuse basis functions on valence bond structural weights Molecular Physics. 112: 654-660. DOI: 10.1080/00268976.2013.850179 |
0.68 |
|
2010 |
Galbraith JM. The effect of orbital type and active space size on valence bond structure weights and bond dissociation energies Molecular Physics. 108: 2551-2558. DOI: 10.1080/00268976.2010.512570 |
0.555 |
|
2008 |
DeBlase A, Licata M, Galbraith JM. A valence bond study of three-center four-electron pi bonding: electronegativity vs electroneutrality. The Journal of Physical Chemistry. A. 112: 12806-11. PMID 18505249 DOI: 10.1021/Jp800010H |
0.784 |
|
2007 |
Galbraith JM. On the role of d orbital hybridization in the chemistry curriculum Journal of Chemical Education. 84: 783-787. DOI: 10.1021/Ed084P783 |
0.57 |
|
2004 |
Fiorillo AA, Galbraith JM. A valence bond description of coordinate covalent bonding Journal of Physical Chemistry A. 108: 5126-5130. DOI: 10.1021/Jp049632O |
0.616 |
|
2002 |
Galbraith JM, Gaspar PP, Borden WT. What accounts for the difference between singlet phenylphosphinidene and singlet phenylnitrene in reactivity toward ring expansion? Journal of the American Chemical Society. 124: 11669-11674. PMID 12296732 DOI: 10.1021/Ja0269892 |
0.509 |
|
2000 |
Galbraith JM, Blank E, Shaik S, Hiberty PC. pi bonding in second and third row molecules: testing the strength of Linus's blanket Chemistry (Weinheim An Der Bergstrasse, Germany). 6: 2425-34. PMID 10939744 DOI: 10.1002/1521-3765(20000703)6:13<2425::Aid-Chem2425>3.0.Co;2-0 |
0.695 |
|
2000 |
Galbraith JM, Shurki A, Shaik S. A Valence Bond Study of the Bonding in First Row Transition Metal Hydride Cations: What Energetic Role Does Covalency Play?† The Journal of Physical Chemistry A. 104: 1262-1270. DOI: 10.1021/Jp9924878 |
0.672 |
|
1999 |
Portmann S, Galbraith JM, Schaefer HF, Scuseria GE, Lüthi HP. Some new structures of C28 Chemical Physics Letters. 301: 98-104. DOI: 10.1016/S0009-2614(98)01435-3 |
0.504 |
|
1998 |
Wesolowski SS, Galbraith JM, Schaefer HF. Isomerization pathway of the aluminum monocarbonyl/isocarbonyl pair, AICO/AIOC: Evidence of a cyclic minimum Journal of Chemical Physics. 108: 9398-9403. DOI: 10.1063/1.476390 |
0.674 |
|
1998 |
Galbraith JM, Schaefer HF. Hydrogen bridging in molecules containing atoms beyond the first row Journal of Molecular Structure-Theochem. 424: 7-20. DOI: 10.1016/S0166-1280(97)00220-0 |
0.533 |
|
1997 |
Sulzbach HM, Vacek G, Schreiner PR, Galbraith JM, Schleyer PvR, Schaefer HF. NMR chemical shielding surface ofN-Acetyl-N?-Methylalaninamide: A density functional study Journal of Computational Chemistry. 18: 126-138. DOI: 10.1002/(Sici)1096-987X(19970115)18:1<126::Aid-Jcc12>3.0.Co;2-K |
0.376 |
|
1996 |
Huis TJV, Galbraith JM, Schaefer HF. The monochlorine fluorides (ClFn) and their anions (ClFn-) n = 1-7: structures and energetics Molecular Physics. 89: 607-631. DOI: 10.1080/002689796173949 |
0.475 |
|
1996 |
Galbraith JM, Schaefer HF. Concerning the applicability of density functional methods to atomic and molecular negative ions Journal of Chemical Physics. 105: 862-864. DOI: 10.1063/1.471933 |
0.318 |
|
1996 |
Galbraith JM, Schaefer HF. The nitrosyl azide potential energy hypersurface: A high-energy-density boom or bust? Journal of the American Chemical Society. 118: 4860-4870. DOI: 10.1021/Ja9534157 |
0.513 |
|
1994 |
Kellogg CB, Galbraith JM, Fowler JE, Schaefer HF. Equilibrium geometry of isocyanomethylene (HCNC) and comparison to the troublesome isomer cyanomethylene (HCCN) Journal of Chemical Physics. 101: 430-435. DOI: 10.1063/1.468152 |
0.469 |
|
1994 |
Fowler JE, Galbraith JM, Vacek G, Schaefer HF. Substituted Oxirenes (X2C2O, X = BH2, CH3, NH2, OH, F): Can They Be Made? Journal of the American Chemical Society. 116: 9311-9319. DOI: 10.1021/Ja00099A057 |
0.462 |
|
1994 |
Vacek G, Galbraith JM, Yamaguchi Y, Schaefer HF, Nobes RH, Scott AP, Radom L. Oxirene: To Be or Not To Be? The Journal of Physical Chemistry. 98: 8660-8665. DOI: 10.1021/J100086A013 |
0.423 |
|
1993 |
Galbraith JM, Vacek G, Schaefer HF. ClF2: Structure and infrared spectra of a weakly bound triatomic molecule Journal of Chemical Physics. 98: 8051-8056. DOI: 10.1063/1.464560 |
0.345 |
|
1993 |
Galbraith JM, Vacek G, Schaefer HF. The vibrational frequencies of borane (BH3): A comparison of high level theoretical results Journal of Molecular Structure. 300: 281-288. DOI: 10.1016/0022-2860(93)87024-4 |
0.373 |
|
Show low-probability matches. |