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Results: 1-25/52
Authors:
Cramer, CJ
Kormos, BL
Seierstad, M
Sherer, EC
Winget, P
Citation: Cj. Cramer et al., Biradical and zwitterionic cyclizations of oxy-substituted enyne-allenes, ORG LETT, 3(12), 2001, pp. 1881-1884
Authors:
Cramer, CJ
Pak, Y
Citation: Cj. Cramer et Y. Pak, Transition state for intramolecular C-H bond cleavage in [(LCu)2(mu-O)(2)](2+) (L=1,4,7-tribenzyl-1,4,7-triazacyclononane), THEOR CH AC, 105(6), 2001, pp. 477-480
Authors:
Cramer, CJ
Thompson, J
Citation: Cj. Cramer et J. Thompson, Quantum chemical characterization of singlet and triplet didehydroindenes, J PHYS CH A, 105(10), 2001, pp. 2091-2098
Authors:
Brown, RC
Cramer, CJ
Roberts, JT
Citation: Rc. Brown et al., An ab initio electronic structure study of methyl adsorption and reaction on cluster models for the diamond surface, DIAM RELAT, 10(1), 2001, pp. 39-47
Authors:
Johnson, WTG
Cramer, CJ
Citation: Wtg. Johnson et Cj. Cramer, Substituent effects on benzyne electronic structures, J PHYS ORG, 14(9), 2001, pp. 597-603
Authors:
Sherer, EC
Cramer, CJ
Citation: Ec. Sherer et Cj. Cramer, Quantum chemical characterization of the cytosine: 2-aminopurine base pair, J COMPUT CH, 22(11), 2001, pp. 1167-1179
Authors:
Cramer, CJ
Kelterer, AM
French, AD
Citation: Cj. Cramer et al., When anomeric effects collide, J COMPUT CH, 22(11), 2001, pp. 1194-1204
Authors:
French, AD
Kelterer, AM
Johnson, GP
Dowd, MK
Cramer, CJ
Citation: Ad. French et al., HF/6-31Genergy surfaces for disaccharide analogs, J COMPUT CH, 22(1), 2001, pp. 65-78
Authors:
Cramer, CJ
Harmata, M
Rashatasakhon, P
Citation: Cj. Cramer et al., Intramolecular 4+3 cycloadditions. Theoretical and experimental evaluationof endo/exo preferences of a cyclopentenyl cation, J ORG CHEM, 66(16), 2001, pp. 5641-5644
Authors:
Cramer, CJ
Kormos, BL
Winget, P
Audette, VM
Beebe, JM
Brauer, CS
Burdick, WR
Cochran, EW
Eklov, BM
Giese, TJ
Jun, Y
Kesavan, LSD
Kinsinger, CR
Minyaev, ME
Rajamani, R
Salsbury, JS
Stubbs, JM
Surek, JT
Thompson, JD
Voelz, VA
Wick, CD
Zhang, L
Citation: Cj. Cramer et al., A cooperative molecular modeling exercise - The hypersurface as classroom, J CHEM EDUC, 78(9), 2001, pp. 1202-1205
Authors:
Johnson, WTG
Sullivan, MB
Cramer, CJ
Citation: Wtg. Johnson et al., meta and para substitution effects on the electronic state energies and ring-expansion reactivities of phenylnitrenes, INT J QUANT, 85(4-5), 2001, pp. 492-508
Authors:
French, AD
Johnson, GP
Kelterer, AM
Dowd, MK
Cramer, CJ
Citation: Ad. French et al., QM/MM distortion energies in di- and oligosaccharides complexed with proteins, INT J QUANT, 84(4), 2001, pp. 416-425
Authors:
Patterson, EV
Cramer, CJ
Truhlar, DG
Citation: Ev. Patterson et al., Reductive dechlorination of hexachloroethane in the environment: Mechanistic studies via computational electrochemistry, J AM CHEM S, 123(9), 2001, pp. 2025-2031
Authors:
Johnson, WTG
Cramer, CJ
Citation: Wtg. Johnson et Cj. Cramer, Influence of hydroxyl substitution on benzyne properties. Quantum chemicalcharacterization of the didehydrophenols, J AM CHEM S, 123(5), 2001, pp. 923-928
Authors:
McIlroy, S
Cramer, CJ
Falvey, DE
Citation: S. Mcilroy et al., Singlet-triplet energy gaps in highly stabilized nitrenium tons: Experimental and theoretical study of 1,3-dimethylbenzotriazolium ion, ORG LETT, 2(16), 2000, pp. 2451-2454
Authors:
Winget, P
Hawkins, GD
Cramer, CJ
Truhlar, DG
Citation: P. Winget et al., Prediction of vapor pressures from self-solvation free energies calculatedby the SM5 series of universal solvation models, J PHYS CH B, 104(19), 2000, pp. 4726-4734
Authors:
Winget, P
Weber, EJ
Cramer, CJ
Truhlar, DG
Citation: P. Winget et al., Computational electrochemistry: aqueous one-electron oxidation potentials for substituted anilines (vol 2, pg 1231, 2000), PHYS CHEM P, 2(8), 2000, pp. 1871-1871
Authors:
Winget, P
Weber, EJ
Cramer, CJ
Truhlar, DG
Citation: P. Winget et al., Computational electrochemistry: aqueous one-electron oxidation potentials for substituted anilines, PHYS CHEM P, 2(6), 2000, pp. 1231-1239
Authors:
Cramer, CJ
Citation: Cj. Cramer, Sugar anomerism - a short and sweet digression - Perspective on "The application of ab initio molecular orbital theory to the anomeric effect" - Jeffrey GA, Pople JA, Radom L (1972) Carbohydr Res 25 : 117, THEOR CH AC, 103(3-4), 2000, pp. 308-310
Authors:
Debbert, SL
Cramer, CJ
Citation: Sl. Debbert et Cj. Cramer, Systematic comparison of the benzynes, pyridynes, and pyridynium cations and characterization of the Bergman cyclization of Z-but-1-3-yn-1-yl isonitrile to the meta diradical 2,4-pyridyne (vol 201,pg 1, 2000), INT J MASS, 203(1-3), 2000, pp. 201-201
Authors:
Debbert, SL
Cramer, CJ
Citation: Sl. Debbert et Cj. Cramer, Systematic comparison of the benzynes, pyridynes, and pyridynium cations and characterization of the Bergman cyclization of Z-but-1-en-3-yn-1-yl isonitrile to the meta diradical 2,4-pyridyne, INT J MASS, 201(1-3), 2000, pp. 1-15
Authors:
Li, JB
Zhu, TH
Cramer, CJ
Truhlar, DG
Citation: Jb. Li et al., A universal solvation model based on class IV charges and the intermediateneglect of differential overlap for the spectroscopy molecular orbital method, J PHYS CH A, 104(11), 2000, pp. 2178-2182
Authors:
Cramer, CJ
Barrows, SE
Citation: Cj. Cramer et Se. Barrows, Quantum chemical characterization of cycloaddition reactions between 1,3-butadiene and oxyallyl cations of varying electrophilicity, J PHYS ORG, 13(3), 2000, pp. 176-186
Authors:
Nagan, MC
Beuning, P
Musier-Forsyth, K
Cramer, CJ
Citation: Mc. Nagan et al., Importance of discriminator base stacking interactions: molecular dynamicsanalysis of A73 microhelix(Ala) variants, NUCL ACID R, 28(13), 2000, pp. 2527-2534
Authors:
Dolney, DM
Hawkins, GD
Winget, P
Liotard, DA
Cramer, CJ
Truhlar, DG
Citation: Dm. Dolney et al., Universal solvation model based on conductor-like screening model, J COMPUT CH, 21(5), 2000, pp. 340-366