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Bohmann, Jonathan, Farrar, Thomas C. (1996) Natural Bond Orbital Analysis of Carbon-13 Chemical Shieldings in Acetylenes. The Journal of Physical Chemistry, 100 (7). 2646-2651 doi:10.1021/jp9525189

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Reference TypeJournal (article/letter/editorial)
TitleNatural Bond Orbital Analysis of Carbon-13 Chemical Shieldings in Acetylenes
JournalThe Journal of Physical Chemistry
AuthorsBohmann, JonathanAuthor
Farrar, Thomas C.Author
Year1996 (January)Volume100
Issue7
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp9525189Search in ResearchGate
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Mindat Ref. ID8045302Long-form Identifiermindat:1:5:8045302:2
GUID0
Full ReferenceBohmann, Jonathan, Farrar, Thomas C. (1996) Natural Bond Orbital Analysis of Carbon-13 Chemical Shieldings in Acetylenes. The Journal of Physical Chemistry, 100 (7). 2646-2651 doi:10.1021/jp9525189
Plain TextBohmann, Jonathan, Farrar, Thomas C. (1996) Natural Bond Orbital Analysis of Carbon-13 Chemical Shieldings in Acetylenes. The Journal of Physical Chemistry, 100 (7). 2646-2651 doi:10.1021/jp9525189
In(1996, January) The Journal of Physical Chemistry Vol. 100 (7) American Chemical Society (ACS)

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Bohmann, Jonathan A., Weinhold, Frank, Farrar, Thomas C. (1997) Natural chemical shielding analysis of nuclear magnetic resonance shielding tensors from gauge-including atomic orbital calculations. The Journal of Chemical Physics, 107 (4). 1173-1184 doi:10.1063/1.474464
Ludwig, R., Bohmann, J., Farrar, T. C. (1995) Correlation Times and Quadrupole Coupling Constants in Neat, Liquid Formamide. The Journal of Physical Chemistry, 99 (24). 9681-9686 doi:10.1021/j100024a007
Farrar, Thomas C., Jablonsky, Michael J., Schwartz, Joe L. (1994) Solution-State NMR Measurement of the Carbon and Proton Chemical Shift Tensors, the C-H Bond Distance, and the Molecular Correlation Time in Phenylacetylene. The Journal of Physical Chemistry, 98 (18). 4780-4786 doi:10.1021/j100069a003
Farrar, Thomas C. (1996) Books: An Update of a Classic. Analytical Chemistry, 68 (7). 262 doi:10.1021/ac9618886
Ciancaleoni, Gianluca, Rocchigiani, Luca (2021) Assessing the Orbital Contribution in the ā€œSpodium Bondā€ by Natural Orbital for Chemical Valenceā€“Charge Displacement Analysis. Inorganic Chemistry, 60 (7) 4683-4692 doi:10.1021/acs.inorgchem.0c03650
Liu, Yun, Nekvasil, Hanna, Tossell, John (2005) Explaining the Effects of Tāˆ’Oāˆ’T Bond Angles on NMR Chemical Shifts in Aluminosilicates:Ā  A Natural Bonding Orbital (NBO) and Natural Chemical Shielding (NCS) Analysis. The Journal of Physical Chemistry A, 109 (13). 3060-3066 doi:10.1021/jp046103b
Hentz, Robert R., Altmiller, H. G. (1970) Radiation-induced isomerization of the 1,2-diphenylpropenes in benzene and cyclohexane. The Journal of Physical Chemistry, 74 (13). 2646-2651 doi:10.1021/j100707a010
Farrar, Thomas C., Adams, Bruce R., Grey, Gothard C., Quintero-Arcaya, Rafael A., Zuo, Qihui. (1986) Carbon-13 differential line broadening and the experimental measurement of the absolute signs of the one-bond carbon-hydrogen spin-coupling constants in phenylacetylene. Journal Of The American Chemical Society, 108 (26) 8190-8193 doi:10.1021/ja00286a013
Moon, Seongho, Kwon, Younghi, Lee, Jaebum, Choo, Jaebum (2001) Conformational Stabilization of 1,3-Benzodioxole:Ā  Anomeric Effect by Natural Bond Orbital Analysis. The Journal of Physical Chemistry A, 105 (13). 3221-3225 doi:10.1021/jp994354s
Goodnough, Jennifer A., Goodrich, Lauren, Farrar, Thomas C. (2007) Dynamics of Dilute Water in Carbon Tetrachloride. The Journal of Physical Chemistry A, 111 (28). 6146-6150 doi:10.1021/jp071866v
Brydon, Samuel C., White, Jonathan M. (2023) Aromaticity and antiaromaticity in monoheterocyclic threeā€membered rings: Application of natural bond orbital theory. Journal of Physical Organic Chemistry, 36 (3) doi:10.1002/poc.4463
 
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