Research Output

2007

Invited commentary: Advancing propensity score methods in epidemiology

Oakes, J. M. & Church, T. R., May 1 2007, In : American journal of epidemiology. 165, 10, p. 1119-1121 3 p.

Research output: Contribution to journalReview article

15 Scopus citations

Isotopic probing of molecular oxygen activation at copper(I) sites

Lanci, M. P., Smirnov, V. V., Cramer, C., Gauchenova, E. V., Sundermeyer, J. & Roth, J. P., Nov 28 2007, In : Journal of the American Chemical Society. 129, 47, p. 14697-14709 13 p.

Research output: Contribution to journalArticle

94 Scopus citations

Models for curricular materials development: Combining applied development processes with theory

Appleton, J., Lawrenz, F., Craft, E., Cudmore, W., Hall, J. & Waintraub, J., Dec 1 2007, In : Journal of Science Education and Technology. 16, 6, p. 491-499 9 p.

Research output: Contribution to journalArticle

1 Scopus citations

Mononuclear Cu-O2 complexes: Geometries, spectroscopic properties, electronic structures, and reactivity

Cramer, C. & Tolman, W. B., Jul 1 2007, In : Accounts of Chemical Research. 40, 7, p. 601-608 8 p.

Research output: Contribution to journalArticle

274 Scopus citations

Multilevel evaluation process use in large-scale multisite evaluation

Lawrenz, F., Huffman, D. & McGinnis, J. R., Jan 1 2007, In : New Directions for Evaluation. 2007, 116, p. 75-85 11 p.

Research output: Contribution to journalArticle

2 Scopus citations

New MP2 database of nucleic acid base trimers: How well reproduce DFT methods structure and binding energies?

Kabeláč, M., Valdes, H., Sherer, E. C., Cramer, C. & Hobza, P., Dec 1 2007, Computation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007). 2 ed. p. 1244-1247 4 p. (AIP Conference Proceedings; vol. 963, no. 2).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Patch aging and the S-Allee effect: Breeding system effects on the demographic response of plants to habitat fragmentation

Wagenius, S., Lonsdorf, E. & Neuhauser, C., Mar 1 2007, In : American Naturalist. 169, 3, p. 383-397 15 p.

Research output: Contribution to journalArticle

82 Scopus citations

Polarization effects in aqueous and nonaqueous solutions

Marenich, A. V., Olson, R. M., Chamberlin, A. C., Cramer, C. & Truhlar, D. G., Nov 1 2007, In : Journal of Chemical Theory and Computation. 3, 6, p. 2055-2067 13 p.

Research output: Contribution to journalArticle

49 Scopus citations
300 Scopus citations

Target-density weighting interpolation and uncertainty evaluation for temporal analysis of census data

Schroeder, J. P., Jun 1 2007, In : Geographical Analysis. 39, 3, p. 311-335 25 p.

Research output: Contribution to journalArticle

32 Scopus citations

Three polymorphs of 4-4′-diiodobenzalazine, and 4-chloro-4′- iodo-benz-alazine

Ojala, C. R., Ojala, W. H., Britton, D. & Cramer, C. J., Aug 9 2007, In : Acta Crystallographica Section C: Crystal Structure Communications. 63, 9, p. o518-o523

Research output: Contribution to journalArticle

3 Scopus citations

Transition state analysis of model and enzymatic prenylation reactions

Lenevich, S., Xu, J., Hosokawa, A., Cramer, C. J. & Distefano, M. D., May 9 2007, In : Journal of the American Chemical Society. 129, 18, p. 5796-5797 2 p.

Research output: Contribution to journalArticle

16 Scopus citations

Trends in patterns versus patterns in trends.

Schroeder, J. P., 2007.

Research output: Contribution to conferencePoster

2006

2-Formylbenzonitrile

Britton, D. & Cramer, C. J., Jun 1 2006, In : Acta Crystallographica Section C: Crystal Structure Communications. 62, 6, p. o307-o309

Research output: Contribution to journalArticle

4 Scopus citations
330 Scopus citations
620 Scopus citations

Biological chemistry of organotin compounds: Interactions and dealkylation by dithiols

Buck-Koehntop, B. A., Porcelli, F., Lewin, J. L., Cramer, C. J. & Veglia, G., Apr 1 2006, In : Journal of Organometallic Chemistry. 691, 8, p. 1748-1755 8 p.

Research output: Contribution to journalReview article

41 Scopus citations

Can an ancillary ligand lead to a thermodynamically stable end-on 1: 1 Cu-O2 adduct supported by a β-diketiminate ligand?

Heppner, D. E., Gherman, B. F., Tolman, W. B. & Cramer, C. J., Oct 19 2006, In : Dalton Transactions. 40, p. 4773-4782 10 p.

Research output: Contribution to journalArticle

13 Scopus citations

Characterization of the structure and reactivity of monocopper-oxygen complexes supported by β-diketiminate and anilido-imine ligands

Gherman, B. F., Tolman, W. B. & Cramer, C. J., Dec 1 2006, In : Journal of Computational Chemistry. 27, 16, p. 1950-1961 12 p.

Research output: Contribution to journalArticle

46 Scopus citations

Density functional characterization of methane metathesis in ansa-[bis(η5-2-indenyl)methane]ML complexes [M = Sc, Y, Lu; L = CH3, CH2C(CH3)3]

Lewin, J. L., Woodrum, N. L. & Cramer, C. J., Dec 4 2006, In : Organometallics. 25, 25, p. 5906-5912 7 p.

Research output: Contribution to journalArticle

19 Scopus citations
24 Scopus citations

Effects of thioether substituents on the O2 reactivity of β-diketiminate-Cu(I) complexes: Probing the role of the methionine ligand in copper monooxygenases

Aboelella, N. W., Gherman, B. F., Hill, L. M. R., York, J. T., Holm, N., Young, V. G., Cramer, C. J. & Tolman, W. B., Mar 15 2006, In : Journal of the American Chemical Society. 128, 10, p. 3445-3458 14 p.

Research output: Contribution to journalArticle

97 Scopus citations

Electronic tuning of β-diketiminate ligands with fluorinated substituents: Effects on the O2-reactivity of mononuclear Cu(I) complexes

Hill, L. M. R., Gherman, B. F., Aboelella, N. W., Cramer, C. J. & Tolman, W. B., Oct 25 2006, In : Dalton Transactions. 41, p. 4944-4953 10 p.

Research output: Contribution to journalArticle

33 Scopus citations

Models for dioxygen activation by the CuB site of dopamine β-monooxygenase and peptidylglycine α-hydroxylating monooxygenase

Gherman, B. F., Heppner, D. E., Tolman, W. B. & Cramer, C. J., Mar 1 2006, In : Journal of Biological Inorganic Chemistry. 11, 2, p. 197-205 9 p.

Research output: Contribution to journalArticle

40 Scopus citations

Molecular quantum mechanics to biodynamics: Essential connections

Colvin, M. E., Cramer, C. J., Dykstra, C. E., Jensen, J. H., Krimm, S., Rivail, J. L., Thakkar, A. J. & Yáñez, M., May 30 2006, In : Journal of Molecular Structure: THEOCHEM. 764, 1-3, p. 1-8 8 p.

Research output: Contribution to journalArticle

7 Scopus citations

New perspectives in theoretical chemistry

Cramer, C. J. & Truhlar, D. G., Aug 1 2006, In : Theoretical Chemistry Accounts. 116, 1-3, 1 p.

Research output: Contribution to journalEditorial

Orexins and Opioids In Feeding Behavior

Kotz, C. M., Billington, C. J. & Levine, A. S., Dec 1 2006, Handbook of Biologically Active Peptides. Elsevier Inc., p. 919-927 9 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

2 Scopus citations
43 Scopus citations

Predicting aqueous free energies of solvation as functions of temperature

Chamberlin, A. C., Cramer, C. & Truhlar, D. G., Mar 23 2006, In : Journal of Physical Chemistry B. 110, 11, p. 5665-5675 11 p.

Research output: Contribution to journalArticle

40 Scopus citations
5 Scopus citations

Quantum chemical characterization of the vertical electron affinities of didehydroquinolinium and didehydroisoquinolinium cations

Nash, J. J., Kenttämaa, H. I. & Cramer, C. J., Aug 31 2006, In : Journal of Physical Chemistry A. 110, 34, p. 10309-10315 7 p.

Research output: Contribution to journalArticle

8 Scopus citations

The incidentalome [5]

Wolf, S. M., Kahn, J. P., Lawrenz, F. P. & Nelson, C. A., Dec 20 2006, In : Journal of the American Medical Association. 296, 23, p. 2800-2801 2 p.

Research output: Contribution to journalLetter

6 Scopus citations
78 Scopus citations
2005

Ab initio molecular orbital and density functional studies on the solvolysis of sarin and O,S-dimethyl methylphosphonothiolate, a VX-like compound

Šečkute, J., Menke, J. L., Emnett, R. J., Patterson, E. V. & Cramer, C. J., Oct 28 2005, In : Journal of Organic Chemistry. 70, 22, p. 8649-8660 12 p.

Research output: Contribution to journalArticle

65 Scopus citations

A semiempirical quantum model for hydrogen-bonded nucleic acid base pairs

Giese, T. J., Sherer, E. C., Cramer, C. J. & York, D. M., Dec 1 2005, In : Journal of Chemical Theory and Computation. 1, 6, p. 1275-1285 11 p.

Research output: Contribution to journalArticle

36 Scopus citations

Automated Generalization of Historical U.S. Census Units

Koehnen, R., McMaster, R. B., Schroeder, J. P. & Galanda, M., 2005.

Research output: Contribution to conferencePaper

Automated generalization of historical US Census units

Schroeder, J. P., Galanda, M., McMaster, R. B. & Koehnen, R., 2005.

Research output: Working paper

Characterization of a 1:1 Cu-O2 adduct supported by an anilido imine ligand

Reynolds, A. M., Gherman, B. F., Cramer, C. J. & Tolman, W. B., Oct 3 2005, In : Inorganic Chemistry. 44, 20, p. 6989-6997 9 p.

Research output: Contribution to journalArticle

72 Scopus citations

Demonstration of tunable reactivity for meta-benzynes

Nash, J. J., Nizzi, K. E., Adeuya, A., Yurkovich, M. J., Cramer, C. J. & Kenttämaa, H. I., Apr 27 2005, In : Journal of the American Chemical Society. 127, 16, p. 5760-5761 2 p.

Research output: Contribution to journalArticle

24 Scopus citations

Experimental and theoretical study of stabilization of delocalized forms of semibullvalenes and barbaralanes by dipolar and polarizable solvents. Observation of a delocalized structure that is lower in free energy than the localized form

Seefelder, M., Heubes, M., Quast, H., Edwards, W. D., Armantrout, J. R., Williams, R. V., Cramer, C. J., Goren, A. C., Hrovat, D. A. & Borden, W. T., Apr 29 2005, In : Journal of Organic Chemistry. 70, 9, p. 3437-3449 13 p.

Research output: Contribution to journalArticle

32 Scopus citations

Kinetics and DFT studies on the reaction of copper(II) complexes and H 2O2

Osako, T., Nagatomo, S., Kitagawa, T., Cramer, C. J. & Itoh, S., Aug 1 2005, In : Journal of Biological Inorganic Chemistry. 10, 5, p. 581-590 10 p.

Research output: Contribution to journalArticle

22 Scopus citations

Oligomeric rods of alkyl- and hydridogallium imides

Kormos, B. L., Jegier, J. A., Ewbank, P. C., Pernisz, U., Young, V. G., Cramer, C. J. & Gladfelter, W. L., Feb 9 2005, In : Journal of the American Chemical Society. 127, 5, p. 1493-1503 11 p.

Research output: Contribution to journalArticle

22 Scopus citations
14 Scopus citations

Structures of nonheme oxoiron(IV) complexes from X-ray crystallography, NMR spectroscopy, and DFT calculations

Klinker, E. J., Kaizer, J., Brennessel, W. W., Woodrum, N. L., Cramer, C. & Que, L., Jun 13 2005, In : Angewandte Chemie - International Edition. 44, 24, p. 3690-3694 5 p.

Research output: Contribution to journalArticle

188 Scopus citations

Successful sperm storage for 28 years

Feldschuh, J., Brassel, J., Durso, N. & Levine, A., Oct 2005, In : Fertility and Sterility. 84, 4, p. 1017.e3-1017.e4

Research output: Contribution to journalArticle

73 Scopus citations

The Creation of a National Multiscale Database for the United States Census

Schroeder, J. P., Galanda, M., McMaster, R. B. & Koehnen, R., 2005

Research output: Book/ReportCommissioned report

2004

298 K enthalpies of formation of monofluorinated alkanes: Theoretical predictions for methyl, ethyl, isopropyl and tert-butyl fluoride

Kormos, B. L., Liebman, J. F. & Cramer, C., Aug 1 2004, In : Journal of Physical Organic Chemistry. 17, 8, p. 656-664 9 p.

Research output: Contribution to journalArticle

18 Scopus citations

Behavioral and Neurochemical Mechanisms of the Action of Mild Stress in the Enhancement of Feeding

O'Hare, E., Shaw, D. L., Tierney, K. J., Kim, E. M., Levine, A. S. & Shephard, R. A., Feb 2004, In : Behavioral Neuroscience. 118, 1, p. 173-177 5 p.

Research output: Contribution to journalArticle

13 Scopus citations