Year |
Citation |
Score |
2007 |
Pratt LM, Truhlar DG, Cramer CJ, Kass SR, Thompson JD, Xidos JD. Aggregation of alkyllithiums in tetrahydrofuran. The Journal of Organic Chemistry. 72: 2962-6. PMID 17358078 DOI: 10.1021/Jo062557O |
0.685 |
|
2005 |
Thompson JD, Cramer CJ, Truhlar DG. Density-functional theory and hybrid density-functional theory continuum solvation models for aqueous and organic solvents: universal SM5.43 and SM5.43R solvation models for any fraction of Hartree-Fock exchange Theoretical Chemistry Accounts. 113: 107-131. DOI: 10.1007/S00214-004-0614-Z |
0.64 |
|
2004 |
Thompson JD, Cramer CJ, Truhlar DG. New Universal Solvation Model and Comparison of the Accuracy of the SM5.42R, SM5.43R, C-PCM, D-PCM, and IEF-PCM Continuum Solvation Models for Aqueous and Organic Solvation Free Energies and for Vapor Pressures The Journal of Physical Chemistry A. 108: 6532-6542. DOI: 10.1021/Jp0496295 |
0.599 |
|
2004 |
Kalinowski JA, Lesyng B, Thompson JD, Cramer CJ, Truhlar DG. Class IV Charge Model for the Self-Consistent Charge Density-Functional Tight-Binding Method The Journal of Physical Chemistry A. 108: 2545-2549. DOI: 10.1021/Jp037288+ |
0.63 |
|
2003 |
Thompson JD, Cramer CJ, Truhlar DG. Parameterization of charge model 3 for AM1, PM3, BLYP, and B3LYP. Journal of Computational Chemistry. 24: 1291-304. PMID 12827670 DOI: 10.1002/Jcc.10244 |
0.664 |
|
2003 |
Thompson JD, Cramer CJ, Truhlar DG. Predicting aqueous solubilities from aqueous free energies of solvation and experimental or calculated vapor pressures of pure substances The Journal of Chemical Physics. 119: 1661-1670. DOI: 10.1063/1.1579474 |
0.544 |
|
2003 |
Brom JM, Schmitz BJ, Thompson JD, Cramer CJ, Truhlar DG. A Class IV Charge Model for Boron Based on Hybrid Density Functional Theory The Journal of Physical Chemistry A. 107: 6483-6488. DOI: 10.1021/Jp0301002 |
0.685 |
|
2003 |
Brom JM, Schmitz BJ, Thompson JD, Cramer CJ, Truhlar DG. A Class IV Charge Model for Boron Based on Hybrid Density Functional Theory. Cheminform. 34. DOI: 10.1002/chin.200343006 |
0.595 |
|
2002 |
Sherer EC, Kinsinger CR, Kormos BL, Thompson JD, Cramer CJ. Electronic structure and bonding in hexacoordinate silyl-palladium complexes. Angewandte Chemie (International Ed. in English). 41: 1953-6. PMID 19750644 DOI: 10.1002/1521-3773(20020603)41:11<1953::Aid-Anie1953>3.0.Co;2-H |
0.479 |
|
2002 |
Thompson JD, Xidos JD, Sonbuchner TM, Cramer CJ, Truhlar DG. More reliable partial atomic charges when using diffuse basis sets Physchemcomm. 5: 117-134. DOI: 10.1039/B206369G |
0.701 |
|
2002 |
Winget P, Thompson JD, Xidos JD, Cramer CJ, Truhlar DG. Charge model 3: A class IV charge model based on hybrid density functional theory with variable exchange Journal of Physical Chemistry A. 106: 10707-10717. DOI: 10.1021/Jp021917I |
0.711 |
|
2002 |
Winget P, Thompson JD, Cramer CJ, Truhlar DG. Parametrization of a universal solvation model for molecules containing silicon Journal of Physical Chemistry A. 106: 5160-5168. DOI: 10.1021/Jp020277G |
0.606 |
|
2002 |
Sherer EC, Kinsinger CR, Kormos BL, Thompson JD, Cramer CJ. Electronic Structure and Bonding in Hexacoordinate Silyl–Palladium Complexes Support from the National Science Foundation (CHE-9876792) is gratefully acknowledged. Angewandte Chemie. 114: 2033. DOI: 10.1002/1521-3757(20020603)114:11<2033::Aid-Ange2033>3.0.Co;2-5 |
0.403 |
|
2001 |
Thompson JD, Winget P, Truhlar DG. MIDIX basis set for the lithium atom: Accurate geometries and atomic partial charges for lithium compounds with minimal computational cost Physchemcomm. 4: 1-6. DOI: 10.1039/B105076C |
0.595 |
|
2001 |
Cramer CJ, Thompson J. Quantum Chemical Characterization of Singlet and Triplet Didehydroindenes The Journal of Physical Chemistry A. 105: 2091-2098. DOI: 10.1021/Jp004379N |
0.515 |
|
2001 |
Cramer CJ, Kormos BL, Winget P, Audette VM, Beebe JM, Brauer CS, Burdick WR, Cochran EW, Eklov BL, Giese TJ, Jun Y, Kesavan LSD, Kinsinger CR, Minyaev ME, Rajamani R, ... ... Thompson JD, et al. A Cooperative Molecular Modeling Exercise—The Hypersurface as Classroom Journal of Chemical Education. 78: 1202. DOI: 10.1021/Ed078P1202 |
0.466 |
|
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