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Benjamin J. Lynch, Ph.D. - Publications

Affiliations: 
2003 University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
Theoretical and Computational Chemistry
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19 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2005 Lynch BJ, Zhao Y, Truhlar DG. The 6-31B(d) basis set and the BMC-QCISD and BMC-CCSD multicoefficient correlation methods. The Journal of Physical Chemistry. A. 109: 1643-9. PMID 16833489 DOI: 10.1021/Jp045847M  0.552
2005 Zhao Y, Lynch BJ, Truhlar DG. Multi-coefficient extrapolated density functional theory for thermochemistry and thermochemical kinetics Physical Chemistry Chemical Physics. 7: 43-52. DOI: 10.1039/B416937A  0.583
2004 Zhao Y, Pu J, Lynch BJ, Truhlar DG. Tests of second-generation and third-generation density functionals for thermochemical kineticsElectronic supplementary information (ESI) available: Mean errors for pure and hybrid DFT methods. See http://www.rsc.org/suppdata/cp/b3/b316260e/ Physical Chemistry Chemical Physics. 6: 673. DOI: 10.1039/B316260E  0.641
2004 Zhao Y, Lynch BJ, Truhlar DG. Development and Assessment of a New Hybrid Density Functional Model for Thermochemical Kinetics Journal of Physical Chemistry A. 108: 2715-2719. DOI: 10.1021/Jp049908S  0.624
2004 Zhao Y, Lynch BJ, Truhlar DG. Doubly hybrid meta DFT: New multi-coefficient correlation and density functional methods for thermochemistry and thermochemical kinetics Journal of Physical Chemistry A. 108: 4786-4791. DOI: 10.1021/Jp049253V  0.619
2004 Lynch BJ, Truhlar DG. Small Representative Benchmarks for Thermochemical Calculations The Journal of Physical Chemistry A. 108: 1460-1460. DOI: 10.1021/Jp0379190  0.453
2004 Lynch BJ, Truhlar DG. Small basis sets for calculations of barrier heights, energies of reaction, electron affinities, geometries, and dipole moments Theoretical Chemistry Accounts. 111: 335-344. DOI: 10.1007/S00214-003-0518-3  0.547
2004 Lynch BJ, Truhlar DG. Small basis sets for calculations of barrier heights, energies of reaction, electron affinities, geometries, and dipole moments Theoretical Chemistry Accounts. 111: 335-344.  0.351
2003 Lynch BJ, Truhlar DG. Small representative benchmarks for thermochemical calculations Journal of Physical Chemistry A. 107: 8996-8999. DOI: 10.1021/Jp035287B  0.541
2003 Lynch BJ, Truhlar DG. Robust and affordable multicoefficient methods for thermochemistry and thermochemical kinetics: The MCCM/3 suite and SAC/3 Journal of Physical Chemistry A. 107: 3898-3906. DOI: 10.1021/Jp0221993  0.574
2003 Lynch BJ, Zhao Y, Truhlar DG. Effectiveness of diffuse basis functions for calculating relative energies by density functional theory Journal of Physical Chemistry A. 107: 1384-1388. DOI: 10.1021/Jp021590L  0.605
2002 Albu TV, Lynch BJ, Truhlar DG, Goren AC, Hrovat DA, Borden WT, Moss RA. Dynamics of 1,2-hydrogen migration in carbenes and ring expansion in cyclopropylcarbenes Journal of Physical Chemistry A. 106: 5323-5338. DOI: 10.1021/Jp020544I  0.486
2002 Lynch BJ, Truhlar DG. What are the best affordable multi-coefficient strategies for calculating transition state geometries and barrier heights? Journal of Physical Chemistry A. 106: 842-846. DOI: 10.1021/Jp014002X  0.589
2002 Lynch BJ, Truhlar DG. Obtaining the right orbitals is the first step to calculating accurate binding energies for Cu+ ion Chemical Physics Letters. 361: 251-258. DOI: 10.1016/S0009-2614(02)00922-3  0.53
2001 Lynch BJ, Truhlar DG. How Well Can Hybrid Density Functional Methods Predict Transition State Geometries and Barrier Heights? The Journal of Physical Chemistry A. 105: 2936-2941. DOI: 10.1021/Jp004262Z  0.564
2001 Skokov S, Zou S, Bowman JM, Allison TC, Truhlar DG, Lin Y, Ramachandran B, Garrett BC, Lynch BJ. Thermal and State-Selected Rate Coefficients for the O(3P) + HCl Reaction and New Calculations of the Barrier Height and Width† The Journal of Physical Chemistry A. 105: 2298-2307. DOI: 10.1021/Jp003783J  0.634
2000 Lynch BJ, Fast PL, Harris M, Truhlar DG. Adiabatic Connection for Kinetics The Journal of Physical Chemistry A. 104: 4811-4815. DOI: 10.1021/Jp000497Z  0.635
2000 Lynch BJ, Fast PL, Harris M, Truhlar DG. Adiabatic connection for kinetics Journal of Physical Chemistry A. 104: 4813-4815.  0.601
1998 Zhdankin VV, Arbit RM, Lynch BJ, Kiprof P, Young VG. Structure and Chemistry of Hypervalent Iodine Heterocycles: Acid-Catalyzed Rearrangement of Benziodazol-3-ones to 3-Iminiumbenziodoxoles Journal of Organic Chemistry. 63: 6590-6596. DOI: 10.1021/Jo980745B  0.329
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