Year |
Citation |
Score |
2023 |
Tetrault T, Meredith RJ, Yoon MK, Canizares C, Oliver AG, Carmichael I, Serianni AS. One-bond C-C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state C NMR and X-ray crystallography. Physical Chemistry Chemical Physics : Pccp. PMID 37272776 DOI: 10.1039/d2cp05363b |
0.307 |
|
2020 |
Ameixa J, Arthur-Baidoo E, Pereira-da-Silva J, Ryszka M, Carmichael I, Cornetta LM, Varella MTdN, Silva FFd, Ptasińska S, Denifl S. Formation of resonances and anionic fragments upon electron attachment to benzaldehyde Physical Chemistry Chemical Physics. 22: 8171-8181. PMID 32249870 DOI: 10.1039/D0Cp00029A |
0.358 |
|
2020 |
Zhang W, Meredith RJ, Oliver AG, Carmichael I, Serianni AS. Glycosidic linkage, N-acetyl side-chain, and other structural properties of methyl 2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-β-D-mannopyranoside monohydrate and related compounds. Acta Crystallographica. Section C, Structural Chemistry. 76: 287-297. PMID 32132287 DOI: 10.1107/S2053229620001515 |
0.358 |
|
2019 |
Zhang W, Yoon MK, Meredith RJ, Zajicek J, Oliver AG, Hadad M, Frey MH, Carmichael I, Serianni AS. C-C spin-coupling constants in crystalline C-labeled saccharides: conformational effects interrogated by solid-state C NMR spectroscopy. Physical Chemistry Chemical Physics : Pccp. PMID 31621725 DOI: 10.1039/C9Cp03228B |
0.397 |
|
2019 |
Li Z, Ryszka M, Dawley MM, Carmichael I, Bravaya KB, Ptasińska S. Dipole-Supported Electronic Resonances Mediate Electron-Induced Amide Bond Cleavage. Physical Review Letters. 122: 073002. PMID 30848645 DOI: 10.1103/Physrevlett.122.073002 |
0.387 |
|
2019 |
Zhang W, Meredith R, Yoon MK, Wang X, Woods RJ, Carmichael I, Serianni AS. Synthesis and O-Glycosidic Linkage Conformational Analysis of 13C-Labeled Oligosaccharide Fragments of an Antifreeze Glycolipid. The Journal of Organic Chemistry. PMID 30624062 DOI: 10.1021/Acs.Joc.8B01411 |
0.371 |
|
2019 |
Zhang W, Meredith R, Pan Q, Wang X, Woods RJ, Carmichael I, Serianni AS. Use of Circular Statistics To Model αMan-(1→2)-αMan and αMan-(1→3)-α/βMan O-Glycosidic Linkage Conformation in 13C-Labeled Disaccharides and High-Mannose Oligosaccharides. Biochemistry. PMID 30605318 DOI: 10.1021/Acs.Biochem.8B01050 |
0.357 |
|
2018 |
Li Z, Carmichael I, Ptasińska S. Dissociative electron attachment induced ring opening in five-membered heterocyclic compounds. Physical Chemistry Chemical Physics : Pccp. PMID 29955738 DOI: 10.1039/C8Cp02718H |
0.318 |
|
2017 |
Li Z, Milosavljević AR, Carmichael I, Ptasinska S. Characterization of Neutral Radicals from a Dissociative Electron Attachment Process. Physical Review Letters. 119: 053402. PMID 28949760 DOI: 10.1103/Physrevlett.119.053402 |
0.359 |
|
2017 |
Janik I, Carmichael I, Tripathi GNR. Transient Raman spectra, structure, and thermochemistry of the thiocyanate dimer radical anion in water. The Journal of Chemical Physics. 146: 214305. PMID 28595392 DOI: 10.1063/1.4984267 |
0.357 |
|
2017 |
Zhang W, Turney T, Meredith R, Pan Q, Sernau L, Wang X, Hu X, Woods RJ, Carmichael I, Serianni AS. Conformational Populations of β-(1→4) O-Glycosidic Linkages Using Redundant NMR J-Couplings and Circular Statistics. The Journal of Physical Chemistry. B. PMID 28296420 DOI: 10.1021/Acs.Jpcb.7B02252 |
0.369 |
|
2017 |
Ribar A, Fink K, Li Z, Ptasińska S, Carmichael I, Feketeová L, Denifl S. Stripping off hydrogens in imidazole triggered by the attachment of a single electron. Physical Chemistry Chemical Physics : Pccp. PMID 28198894 DOI: 10.1039/C6Cp08773F |
0.373 |
|
2017 |
Bury CS, Carmichael I, Garman EF. OH cleavage from tyrosine: debunking a myth. Journal of Synchrotron Radiation. 24: 7-18. PMID 28009542 DOI: 10.1107/S1600577516016775 |
0.338 |
|
2016 |
Bose-Basu B, Zhang W, Kennedy JL, Hadad MJ, Carmichael I, Serianni AS. 13C-Labeled Idohexopyranosyl Rings: Effects of Methyl Glycosidation and C6 Oxidation on Ring Conformational Equilibria. The Journal of Organic Chemistry. PMID 28006104 DOI: 10.1021/Acs.Joc.6B02399 |
0.33 |
|
2016 |
Turney T, Pan Q, Sernau L, Carmichael I, Zhang W, Wang X, Woods RJ, Serianni AS. O-Acetyl Side-Chains in Monosaccharides: Redundant NMR Spin-Couplings and Statistical Models for Acetate Ester Conformational Analysis. The Journal of Physical Chemistry. B. PMID 28001427 DOI: 10.1021/Acs.Jpcb.6B10028 |
0.385 |
|
2016 |
Li Z, Dawley MM, Carmichael I, Ptasińska S. Electron-Induced Fragmentation of Methylated Formamides International Journal of Mass Spectrometry. 410: 36-46. DOI: 10.1016/J.Ijms.2016.10.008 |
0.379 |
|
2015 |
Dawley MM, Tanzer K, Carmichael I, Denifl S, Ptasińska S. Dissociative electron attachment to the gas-phase nucleobase hypoxanthine. The Journal of Chemical Physics. 142: 215101. PMID 26049525 DOI: 10.1063/1.4921388 |
0.376 |
|
2015 |
Klepach T, Zhao H, Hu X, Zhang W, Stenutz R, Hadad MJ, Carmichael I, Serianni AS. Informing saccharide structural NMR studies with density functional theory calculations. Methods in Molecular Biology (Clifton, N.J.). 1273: 289-331. PMID 25753718 DOI: 10.1007/978-1-4939-2343-4_20 |
0.412 |
|
2012 |
Zhang W, Hu X, Carmichael I, Serianni AS. Methyl [13C]glucopyranosiduronic acids: effect of COOH ionization and exocyclic structure on NMR spin-couplings. The Journal of Organic Chemistry. 77: 9521-34. PMID 22967209 DOI: 10.1021/Jo3011182 |
0.407 |
|
2011 |
Zhang W, Carmichael I, Serianni AS. Rearrangement of 3-deoxy-D-erythro-hexos-2-ulose in aqueous solution: NMR evidence of intramolecular 1,2-hydrogen transfer. The Journal of Organic Chemistry. 76: 8151-8. PMID 21793547 DOI: 10.1021/Jo200288T |
0.39 |
|
2011 |
De La Mora E, Carmichael I, Garman EF. Effective scavenging at cryotemperatures: Further increasing the dose tolerance of protein crystals Journal of Synchrotron Radiation. 18: 346-357. PMID 21525642 DOI: 10.1107/S0909049511007163 |
0.333 |
|
2011 |
Lewandowska A, Carmichael I, Hörner G, Hug GL, Marciniak B. Steric effects on intramolecular reactivity in cyclic dipeptides: Conformational analysis validated by a combined MD/DFT approach Chemical Physics Letters. 512: 123-128. DOI: 10.1016/J.Cplett.2011.06.086 |
0.354 |
|
2010 |
Hu X, Carmichael I, Serianni AS. N-acetyl side-chains in saccharides: NMR J-coupling equations sensitive to CH-NH and NH-CO bond conformations in 2-acetamido-2-deoxy-aldohexopyranosyl rings. The Journal of Organic Chemistry. 75: 4899-910. PMID 20604546 DOI: 10.1021/Jo100521G |
0.391 |
|
2010 |
Hu X, Zhang W, Carmichael I, Serianni AS. Amide cis-trans isomerization in aqueous solutions of methyl N-formyl-D-glucosaminides and methyl N-acetyl-D-glucosaminides: chemical equilibria and exchange kinetics. Journal of the American Chemical Society. 132: 4641-52. PMID 20225805 DOI: 10.1021/Ja9086787 |
0.339 |
|
2009 |
Zhang W, Zhao H, Carmichael I, Serianni AS. An NMR investigation of putative interresidue H-bonding in methyl alpha-cellobioside in solution. Carbohydrate Research. 344: 1582-7. PMID 19632671 DOI: 10.1016/J.Carres.2009.06.007 |
0.337 |
|
2009 |
Lewandowska A, Hug GL, Hörner G, Carmichael I, Kazmierczak F, Marciniak B. Chiral discrimination in the hydrogen-atom transfer between tyrosine and benzophenone in rigid peptides Chemical Physics Letters. 473: 348-353. DOI: 10.1016/J.Cplett.2009.03.085 |
0.312 |
|
2009 |
Strzelczak G, Janeba-Bartoszewicz E, Carmichael I, Marciniak B, Bobrowski K. Electron paramagnetic resonance (EPR) study of γ-radiation-induced radicals in 1,3,5-trithiane and its derivatives Research On Chemical Intermediates. 35: 507-517. DOI: 10.1007/S11164-009-0054-4 |
0.368 |
|
2008 |
Klepach T, Carmichael I, Serianni AS. 13C-labeled N-acetyl-neuraminic acid in aqueous solution: detection and quantification of acyclic keto, keto hydrate, and enol forms by 13C NMR spectroscopy. Journal of the American Chemical Society. 130: 11892-900. PMID 18710238 DOI: 10.1021/Ja077565G |
0.366 |
|
2008 |
Klepach T, Zhang W, Carmichael I, Serianni AS. (13)C-(1)H and (13)C-(13)C NMR J-couplings in (13)C-labeled N-acetyl-neuraminic acid: correlations with molecular structure. The Journal of Organic Chemistry. 73: 4376-87. PMID 18489160 DOI: 10.1021/Jo702204X |
0.385 |
|
2008 |
Zhao H, Carmichael I, Serianni AS. Oligosaccharide trans-glycoside 3JCOCC Karplus curves are not equivalent: effect of internal electronegative substituents. The Journal of Organic Chemistry. 73: 3255-7. PMID 18351773 DOI: 10.1021/Jo702288H |
0.391 |
|
2008 |
Hull KL, Carmichael I, Noll BC, Henderson KW. Homo- and heterodimetallic geminal dianions derived from the bis(phosphinimine) {Ph2P(NSiMe3)}2CH2 and the alkali metals Li, Na, and K. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 3939-53. PMID 18351702 DOI: 10.1002/Chem.200701976 |
0.316 |
|
2007 |
Bose-Basu B, Klepach T, Bondo G, Bondo PB, Zhang W, Carmichael I, Serianni AS. 13C-13C NMR spin-spin coupling constants in saccharides: structural correlations involving all carbons in aldohexopyranosyl rings. The Journal of Organic Chemistry. 72: 7511-22. PMID 17824645 DOI: 10.1021/Jo0706776 |
0.359 |
|
2007 |
Zhao H, Pan Q, Zhang W, Carmichael I, Serianni AS. DFT and NMR studies of 2JCOH, 3JHCOH, and 3JCCOH spin-couplings in saccharides: C-O torsional bias and H-bonding in aqueous solution. The Journal of Organic Chemistry. 72: 7071-82. PMID 17316047 DOI: 10.1021/Jo0619884 |
0.414 |
|
2006 |
Filipiak P, Camaioni DM, Fessenden RW, Carmichael I, Hug GL. Reactions of 1-hydroxy-1-methylethyl radicals with NO2-: time-resolved electron spin resonance. The Journal of Physical Chemistry. A. 110: 11046-52. PMID 16986837 DOI: 10.1021/Jp062398C |
0.357 |
|
2006 |
Päch M, Macrae RM, Carmichael I. Hydrogen and deuterium atoms in octasilsesquioxanes: experimental and computational studies. Journal of the American Chemical Society. 128: 6111-25. PMID 16669680 DOI: 10.1021/Ja055177D |
0.345 |
|
2006 |
Stevens F, Carmichael I, Callens F, Waroquier M. Density functional investigation of high-spin XY (X = Cr, Mo, W and Y = C, N, O) molecules. The Journal of Physical Chemistry. A. 110: 4846-53. PMID 16599454 DOI: 10.1021/Jp060717U |
0.378 |
|
2006 |
Maiti NC, Zhu Y, Carmichael I, Serianni AS, Anderson VE. 1JCH correlates with alcohol hydrogen bond strength. The Journal of Organic Chemistry. 71: 2878-80. PMID 16555846 DOI: 10.1021/Jo052389K |
0.339 |
|
2006 |
Juliarena MP, Lezna RO, Feliz MR, Ruiz GT, Thomas S, Ferraudi G, Carmichael I. On the association and structure of radicals derived from dipyridil[3,2-a:2'3'-c]phenazine. Contrast between the electrochemical, radiolytic, and photochemical reduction processes. The Journal of Organic Chemistry. 71: 2870-3. PMID 16555844 DOI: 10.1021/Jo051985B |
0.374 |
|
2006 |
Zhu Y, Pan Q, Thibaudeau C, Zhao S, Carmichael I, Serianni AS. [13C,15N]2-Acetamido-2-deoxy-D-aldohexoses and their methyl glycosides: synthesis and NMR investigations of J-couplings involving 1H, 13C, and 15N. The Journal of Organic Chemistry. 71: 466-79. PMID 16408953 DOI: 10.1021/Jo051510K |
0.371 |
|
2006 |
Thomas SL, Carmichael I. Hyperfine interactions in muonium-containing radicals Physica B: Condensed Matter. 374: 290-294. DOI: 10.1016/J.Physb.2005.11.076 |
0.358 |
|
2006 |
Stevens F, Speybroeck VV, Carmichael I, Callens F, Waroquier M. The Rh-ligand bond: RhX (X = C, N, O, F, P and Cl) molecules Chemical Physics Letters. 421: 281-286. DOI: 10.1016/J.Cplett.2006.01.102 |
0.351 |
|
2005 |
LaVerne JA, Carmichael I, Araos MS. Radical production in the radiolysis of liquid pyridine. The Journal of Physical Chemistry. A. 109: 461-5. PMID 16833366 DOI: 10.1021/Jp045786S |
0.332 |
|
2005 |
Pan Q, Klepach T, Carmichael I, Reed M, Serianni AS. 4J(COCCH) and 4J(CCCCH) as probes of exocyclic hydroxymethyl group conformation in saccharides. The Journal of Organic Chemistry. 70: 7542-9. PMID 16149782 DOI: 10.1021/Jo050615K |
0.366 |
|
2005 |
Klepach TE, Carmichael I, Serianni AS. Geminal 2JCCH spin-spin coupling constants as probes of the phi glycosidic torsion angle in oligosaccharides. Journal of the American Chemical Society. 127: 9781-93. PMID 15998083 DOI: 10.1021/Ja040251Y |
0.384 |
|
2005 |
Mahoney JM, Stucker KA, Jiang H, Carmichael I, Brinkmann NR, Beatty AM, Noll BC, Smith BD. Molecular recognition of trigonal oxyanions using a ditopic salt receptor: evidence for anisotropic shielding surface around nitrate anion. Journal of the American Chemical Society. 127: 2922-8. PMID 15740128 DOI: 10.1021/Ja0440295 |
0.33 |
|
2005 |
Wenska G, Taras-Goślińska K, Skalski B, Hug GL, Carmichael I, Marciniak B. Generation of thiyl radicals by the photolysis of 5-iodo-4-thiouridine. The Journal of Organic Chemistry. 70: 982-8. PMID 15675858 DOI: 10.1021/Jo048496G |
0.382 |
|
2005 |
Wisniowski P, Bobrowski K, Filipiak P, Carmichael I, Hug GL. Reactions of hydrogen atoms with α-(alkylthio) carbonyl compounds. Time-resolved ESR detection and DFT calculations Research On Chemical Intermediates. 31: 633-641. DOI: 10.1163/1568567054909023 |
0.389 |
|
2004 |
Thibaudeau C, Stenutz R, Hertz B, Klepach T, Zhao S, Wu Q, Carmichael I, Serianni AS. Correlated C-C and C-O bond conformations in saccharide hydroxymethyl groups: parametrization and application of redundant 1H-1H, 13C-1H, and 13C-13C NMR J-couplings. Journal of the American Chemical Society. 126: 15668-85. PMID 15571389 DOI: 10.1021/Ja0306718 |
0.362 |
|
2004 |
Wisniowski P, Bobrowski K, Carmichael I, Hug GL. Bimolecular homolytic substitution (S(H)2) reactions with hydrogen atoms. time-resolved electron spin resonance detection in the pulse radiolysis of alpha-(methylthio)acetamide. Journal of the American Chemical Society. 126: 14468-74. PMID 15521767 DOI: 10.1021/Ja0458625 |
0.368 |
|
2004 |
Hug GL, Camaioni DM, Carmichael I. EPR detection of HNO 2.- in the radiolysis of aqueous nitrite and quantum chemical calculation of its stability and hyperfine parameters Journal of Physical Chemistry A. 108: 6599-6604. DOI: 10.1021/Jp049487E |
0.386 |
|
2004 |
Brinkmann NR, Carmichael I. B3LYP investigation of HPO 2, trans-HOPO, cis-HOPO, and their radical anions Journal of Physical Chemistry A. 108: 9390-9399. DOI: 10.1021/Jp0402176 |
0.349 |
|
2004 |
Filipiak P, Hug GL, Carmichael I, Korzeniowska-Sobczuk A, Bobrowski K, Marciniak B. Lifetimes and Modes of Decay of Sulfur-Centered Radical Zwitterions Containing Carboxylate and Phenyl Groups Journal of Physical Chemistry A. 108: 6503-6512. DOI: 10.1021/Jp036962K |
0.335 |
|
2003 |
Macrae RM, Carmichael I. Comparative theoretical study of Mu addition to the C=O and C=S bonds Physica B: Condensed Matter. 326: 81-84. DOI: 10.1016/S0921-4526(02)01581-8 |
0.379 |
|
2002 |
Stenutz R, Carmichael I, Widmalm G, Serianni AS. Hydroxymethyl group conformation in saccharides: structural dependencies of (2)J(HH), (3)J(HH), and (1)J(CH) spin-spin coupling constants. The Journal of Organic Chemistry. 67: 949-58. PMID 11856043 DOI: 10.1021/Jo010985I |
0.399 |
|
2002 |
Schuler RH, Albarran G, Zajicek J, George MV, Fessenden RW, Carmichael I. On the addition of .OH radicals to the ipso positions of alkyl-substituted aromatics: Production of 4-hydroxy-4-methyl-2,5-cyclohexadien-1-one in the radiolytic oxidation of p-cresol Journal of Physical Chemistry A. 106: 12178-12183. DOI: 10.1021/Jp021807B |
0.374 |
|
2002 |
Korzeniowska-Sobczuk A, Hug GL, Carmichael I, Bobrowski K. Spectral, kinetics, and theoretical studies of radical cations derived from thioanisole and its carboxylic derivative Journal of Physical Chemistry A. 106: 9251-9260. DOI: 10.1021/Jp021039O |
0.305 |
|
2002 |
Wisniowski P, Carmichael I, Fessenden RW, Hug GL. Evidence for β scission in the oxidation of amino acids Journal of Physical Chemistry A. 106: 4573-4580. DOI: 10.1021/Jp0139383 |
0.336 |
|
2001 |
Macrae RM, Carmichael I. Density Functional Studies of Hydrogen Atom Addition to the CS Bond Journal of Physical Chemistry A. 105: 3641-3651. DOI: 10.1021/Jp004170+ |
0.418 |
|
2000 |
Bose-Basu B, Zajicek J, Bondo G, Zhao S, Kubsch M, Carmichael I, Serianni AS. Deuterium nuclear spin-lattice relaxation times and quadrupolar coupling constants in isotopically labeled saccharides. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 144: 207-16. PMID 10828189 DOI: 10.1006/Jmre.2000.2045 |
0.367 |
|
2000 |
Hug GL, Carmichael I, Fessenden RW. Direct EPR observation of the aminomethyl radical during the radiolysis of glycine Journal of the Chemical Society. Perkin Transactions 2. 907-908. DOI: 10.1039/B002283G |
0.309 |
|
2000 |
Bonifačić M, Armstrong DA, Carmichael I, Asmus K. β-Fragmentation and Other Reactions Involving Aminyl Radicals from Amino Acids Journal of Physical Chemistry B. 104: 643-649. DOI: 10.1021/Jp993390O |
0.325 |
|
2000 |
Guldi DM, Hungerbühler aH, Carmichael I, Asmus K, Maggini M. [6-6]-Closed versus [6-5]-Open Isomers of Imino- and Methanofullerenes: A Comparison with Pristine C60 and (C59N)• Journal of Physical Chemistry A. 104: 8601-8608. DOI: 10.1021/Jp0016838 |
0.327 |
|
2000 |
Galasso V, Carmichael I. Density functional theory study of ultrashort and overlong CC single bonds and the lowest nonbonding C...C distance Journal of Physical Chemistry A. 104: 6271-6276. DOI: 10.1021/Jp0002291 |
0.415 |
|
2000 |
Cloran F, Carmichael I, Serianni AS. J(coc) spin-spin coupling constants across glycosidic linkages exhibit a valence bond-angle dependence Journal of the American Chemical Society. 122: 396-397. DOI: 10.1021/Ja992532P |
0.311 |
|
1999 |
Cloran F, Carmichael I, Serianni AS. 13C-1H and 13C-13C spin coupling behavior in aldofuranosyl rings from density functional theory Journal of Physical Chemistry A. 103: 3783-3795. DOI: 10.1021/Jp9905676 |
0.415 |
|
1999 |
Cloran F, Carmichael I, Serianni AS. Density functional calculations on disaccharide mimics: Studies of molecular geometries and trans-O-glycosidic 3J(COCH) and 3J(COCC) spin- couplings Journal of the American Chemical Society. 121: 9843-9851. DOI: 10.1021/Ja984384T |
0.394 |
|
1998 |
Bose B, Zhao S, Stenutz R, Cloran F, Bondo PB, Bondo G, Hertz B, Carmichael I, Serianni AS. Three-bond C-O-C-C spin-coupling constants in carbohydrates: Development of a Karplus relationship Journal of the American Chemical Society. 120: 11158-11173. DOI: 10.1021/Ja981127F |
0.355 |
|
1997 |
Carmichael I, Gao G, Deng Y, Konovalov V, Jeevarajan AS, Jeevarajan JA, Hand E, Roos BO, Vallance C, Wood BR. Theoretical Studies on Some S.'.N Three-Electron Bonded Radical Cations. Acta Chemica Scandinavica. 51: 567-571. DOI: 10.3891/Acta.Chem.Scand.51-0567 |
0.353 |
|
1997 |
Church TJ, Carmichael I, Serianni AS. 13C-1H and 13C-13C spin-coupling constants in methyl β-D-ribofuranoside and methyl 2-deoxy-β-D-erythro-pentofuranoside: Correlations with molecular structure and conformation Journal of the American Chemical Society. 119: 8946-8964. DOI: 10.1021/Ja970231E |
0.332 |
|
1997 |
Kennedy J, Wu J, Drew K, Carmichael I, Serianni AS. Carbohydrate reaction intermediates: Effect of ring-oxygen protonation on the structure and conformation of aldofuranosyl rings Journal of the American Chemical Society. 119: 8933-8945. DOI: 10.1021/Ja963727P |
0.372 |
|
1997 |
Bandyopadhyay T, Wu J, Stripe WA, Carmichael I, Serianni AS. 13C-1H and 13C-13C spin couplings in [2'-13C]2'-deoxyribonucleosides: Correlations with molecular structure Journal of the American Chemical Society. 119: 1737-1744. DOI: 10.1021/Ja961622G |
0.343 |
|
1996 |
Podlasek CA, Stripe WA, Carmichael I, Shang M, Basu B, Serianni AS. 13C−1H Spin-Coupling Constants in the β-d-Ribofuranosyl Ring: Effect of Ring Conformation on Coupling Magnitudes Journal of the American Chemical Society. 118: 1413-1425. DOI: 10.1021/Ja9519647 |
0.338 |
|
1996 |
Church T, Carmichael I, Serianni AS. Two-bond 13C-13C spin-coupling constants in carbohydrates: Effect of structure on coupling magnitude and sign Carbohydrate Research. 280: 177-186. DOI: 10.1016/0008-6215(95)00311-8 |
0.396 |
|
1995 |
Serianni AS, Wu J, Carmichael I. One-bond 13C-1H spin-coupling constants in aldofuranosyl rings: Effect of conformation on coupling magnitude Journal of the American Chemical Society. 117: 8645-8650. DOI: 10.1021/Ja00138A021 |
0.392 |
|
1995 |
Carmichael I. Correlation Effects on the Hyperfine Splitting in HNCN The Journal of Physical Chemistry. 99: 6832-6835. DOI: 10.1021/J100018A013 |
0.393 |
|
1994 |
Carmichael I. Hyperfine Splitting In Hoco From Ab Initio Calculation The Journal of Physical Chemistry. 98: 5896-5901. DOI: 10.1021/J100074A013 |
0.405 |
|
1994 |
Carmichael I. Hyperfine Splitting in N4+ from ab Initio Calculation The Journal of Physical Chemistry. 98: 5044-5048. DOI: 10.1021/J100070A016 |
0.394 |
|
1993 |
Carmichael I, Chipman DM, Podlasek CA, Serianni AS. Torsional effects on the one-bond 13C-13C spin coupling constant in ethylene glycol: Insights into the behavior of 1JCC in carbohydrates† Journal of the American Chemical Society. 115: 10863-10870. DOI: 10.1021/Ja00076A050 |
0.371 |
|
1993 |
Carmichael I. Ab initio quadratic configuration interaction calculation of indirect NMR spin-spin coupling constants The Journal of Physical Chemistry. 97: 1789-1792. DOI: 10.1021/J100111A013 |
0.368 |
|
1991 |
Carmichael I. Ab initio quadratic configuration interaction calculation of the isotropic hyperfine coupling constants in the ethyl radical The Journal of Physical Chemistry. 95: 6198-6201. DOI: 10.1021/J100169A029 |
0.428 |
|
1991 |
Chipman DM, Carmichael I, Feller D. Molecular orbital studies of hyperfine coupling constants in the H2CN and H(HO)CN radicals The Journal of Physical Chemistry. 95: 4702-4708. DOI: 10.1021/J100165A021 |
0.43 |
|
1991 |
Carmichael I. Ab initio quadratic configuration interaction calculations of isotropic hyperfine coupling constants The Journal of Physical Chemistry. 95: 108-111. DOI: 10.1021/J100154A025 |
0.408 |
|
1990 |
Carmichael I. Isotropic coupling constant for the nitrogen atom from correlated calculations based on spin-unrestricted wave functions Journal of Chemical Physics. 93: 863-864. DOI: 10.1063/1.459459 |
0.385 |
|
1990 |
Carmichael I. Ab initio coupled-cluster calculations of isotropic hyperfine splitting in some diatomic hydrides The Journal of Physical Chemistry. 94: 5734-5740. DOI: 10.1021/J100378A025 |
0.415 |
|
1990 |
Jeevarajan AS, Carmichael I, Fessenden RW. ESR measurement of the pKa of carboxyl radical and ab initio calculation of the carbon-13 hyperfine constant Journal of Physical Chemistry. 94: 1372-1376. DOI: 10.1021/J100367A033 |
0.346 |
|
1989 |
Carmichael I. Abinitio calculation of the hyperfine coupling constants in B2 Journal of Chemical Physics. 91: 1072-1078. DOI: 10.1063/1.457179 |
0.347 |
|
1989 |
Carmichael I. Isotropic coupling constants for the atoms boron-fluorine from correlated calculations based on spin-unrestricted wave functions The Journal of Physical Chemistry. 93: 190-193. DOI: 10.1021/J100338A040 |
0.414 |
|
1987 |
Carmichael I. Ab initio configuration interaction study of the hyperfine coupling in fluorine molecular radical anion The Journal of Physical Chemistry. 91: 6443-6445. DOI: 10.1021/J100310A001 |
0.35 |
|
1986 |
Carmichael I, Hug GL. Triplet-Triplet Absorption Spectra of Organic Molecules in Condensed Phases Journal of Physical and Chemical Reference Data. 15: 1-250. DOI: 10.1063/1.555770 |
0.305 |
|
1986 |
Carmichael I. Ab initio molecular orbital calculations on isolated vibrational frequencies in AMe3 radicals and radical ions ( A = B-, C, N+, Al-, Si, P+) The Journal of Physical Chemistry. 90: 2057-2060. DOI: 10.1021/J100401A017 |
0.393 |
|
1986 |
Carmichael I. Structure and magnetic properties of AH3 and AMe3 inorganic radicals and radical ions (AAl-, Si, and P+) by ab initio calculation Inorganica Chimica Acta. 117: 75-79. DOI: 10.1016/S0020-1693(00)88069-X |
0.37 |
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1985 |
Webster B, Hilczer M, Ramos MJ, Carmichael I. The inclusion of d-type Gaussian functions in the analytic method for the calculation of electrostatic molecular potentials. Interaction of a proton or a positive muon with carbon monoxide Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 81: 1761-1769. DOI: 10.1039/F29858101761 |
0.58 |
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1985 |
Carmichael I. Ab initio molecular orbital calculations on the tert-butyl radical, its isoelectronic neighboring radical ions and their third-row congeners The Journal of Physical Chemistry. 89: 4727-4732. DOI: 10.1021/J100268A016 |
0.379 |
|
1985 |
Carmichael I, Hug GL. Bibliographies on radiation chemistry: VII. Triplet-triplet absorption spectra part C (April, 1982 - Dec., 1984) Radiation Physics and Chemistry. 26: 229-246. DOI: 10.1016/0146-5724(85)90191-8 |
0.32 |
|
1983 |
Carmichael I, Funabashi K. Absorption spectra of dimer negative ions Journal of Chemical Physics. 78: 23-26. DOI: 10.1063/1.444547 |
0.343 |
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1982 |
Hug GL, Carmichael I. Application of the photoinduced electron transfer model to the hydrated electron spectrum The Journal of Physical Chemistry. 86: 3410-3415. DOI: 10.1021/J100214A029 |
0.346 |
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1982 |
Carmichael I, Hug GL. Bibliographies on radiation chemistry: VII. Triplet-triplet absorption spectra Part B (1976 - April, 1982) Radiation Physics and Chemistry. 20: 179-197. DOI: 10.1016/0146-5724(82)90079-6 |
0.308 |
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1981 |
Bentley J, Carmichael I. Ab initio calculation of the structures and properties of some lithium-Lewis base complexes The Journal of Physical Chemistry. 85: 3821-3826. DOI: 10.1021/J150625A021 |
0.383 |
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1980 |
Carmichael I. Moment theory analysis of eROH- optical absorption spectra The Journal of Physical Chemistry. 84: 1076-1082. DOI: 10.1021/J100447A002 |
0.341 |
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1979 |
Carmichael I, Paul H. CIDEP during the photolysis of di-tert.butyl ketone Chemical Physics Letters. 67: 519-523. DOI: 10.1016/0009-2614(79)85218-5 |
0.312 |
|
1979 |
Carmichael IC, Webster BC. Compton profiles of solvated electrons Chemical Physics Letters. 61: 96-99. DOI: 10.1016/0009-2614(79)85094-0 |
0.313 |
|
1978 |
Funabashi K, Carmichael I, Hamill WH. Photon‐induced electron transfer transitions of the solvated electrons Journal of Chemical Physics. 69: 2652-2656. DOI: 10.1063/1.436913 |
0.334 |
|
1978 |
Webster BC, Carmichael IC. Numerical solution of semicontinuum models for excess electrons The Journal of Chemical Physics. 68: 4086-4092. DOI: 10.1063/1.436321 |
0.322 |
|
1978 |
Mozumder A, Carmichael I. Effect of field‐dependent mobility on the escape probability. I. Electrons photoinjected in neopentane Journal of Chemical Physics. 68: 3808-3813. DOI: 10.1063/1.436186 |
0.316 |
|
1978 |
Carmichael I. Solvated electron wavefunctions Journal of Chemical Physics. 68: 4644-4650. DOI: 10.1063/1.435572 |
0.324 |
|
1978 |
Carmichael I. Spectral moments of solvated electrons Chemical Physics Letters. 56: 339-342. DOI: 10.1016/0009-2614(78)80255-3 |
0.326 |
|
1974 |
Carmichael I, Webster B. Continuum model for solvated electrons Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 70: 1570-1577. DOI: 10.1039/F29747001570 |
0.538 |
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