Cramer CJ - Search Results

1

A short yet very weak dative bond: structure, bonding, and energetic properties of N(2)-BH(3).

Smith EL, Sadowsky D, Phillips JA, Cramer CJ, Giesen DJ. Smith EL, et al. Among authors: cramer cj. J Phys Chem A. 2010 Feb 25;114(7):2628-36. doi: 10.1021/jp909059n. J Phys Chem A. 2010. PMID: 20121205

2

Structure, bonding, and energetic properties of nitrile-borane complexes: RCN-BH3.

Smith EL, Sadowsky D, Cramer CJ, Phillips JA. Smith EL, et al. Among authors: cramer cj. J Phys Chem A. 2011 Mar 17;115(10):1955-63. doi: 10.1021/jp106391c. Epub 2011 Feb 22. J Phys Chem A. 2011. PMID: 21341644

3

Quantum chemical and matrix-IR characterization of CH3CN-BCl3: a complex with two distinct minima along the B-N bond potential.

Wrass JP, Sadowsky D, Bloomgren KM, Cramer CJ, Phillips JA. Wrass JP, et al. Among authors: cramer cj. Phys Chem Chem Phys. 2014 Aug 21;16(31):16480-91. doi: 10.1039/c4cp01495b. Phys Chem Chem Phys. 2014. PMID: 24984763

4

B-N distance potential of CH3CN-BF3 revisited: resolving the experiment-theory structure discrepancy and modeling the effects of low-dielectric environments.

Phillips JA, Cramer CJ. Phillips JA, et al. Among authors: cramer cj. J Phys Chem B. 2007 Feb 15;111(6):1408-15. doi: 10.1021/jp065485d. Epub 2007 Jan 25. J Phys Chem B. 2007. PMID: 17253733

5

Quantum Chemical Characterization of the Structural and Energetic Properties of HCN-BF3.

Phillips JA, Cramer CJ. Phillips JA, et al. Among authors: cramer cj. J Chem Theory Comput. 2005 Sep;1(5):827-33. doi: 10.1021/ct0501248. J Chem Theory Comput. 2005. PMID: 26641898

6

Large gas-solid structural differences in complexes of haloacetonitriles with boron trifluoride.

Phillips JA, Halfen JA, Wrass JP, Knutson CC, Cramer CJ. Phillips JA, et al. Among authors: cramer cj. Inorg Chem. 2006 Jan 23;45(2):722-31. doi: 10.1021/ic051491x. Inorg Chem. 2006. PMID: 16411708

7

A Universal Organic Solvation Model.

Giesen DJ, Gu MZ, Cramer CJ, Truhlar DG. Giesen DJ, et al. Among authors: cramer cj. J Org Chem. 1996 Dec 13;61(25):8720-8721. doi: 10.1021/jo9617427. J Org Chem. 1996. PMID: 11667839 No abstract available.

8

Class IV charge models: a new semiempirical approach in quantum chemistry.

Storer JW, Giesen DJ, Cramer CJ, Truhlar DG. Storer JW, et al. Among authors: cramer cj. J Comput Aided Mol Des. 1995 Feb;9(1):87-110. doi: 10.1007/BF00117280. J Comput Aided Mol Des. 1995. PMID: 7751872

9

Thermochemical factors affecting the dehalogenation of aromatics.

Sadowsky D, McNeill K, Cramer CJ. Sadowsky D, et al. Among authors: cramer cj. Environ Sci Technol. 2013 Dec 17;47(24):14194-203. doi: 10.1021/es404033y. Epub 2013 Nov 26. Environ Sci Technol. 2013. PMID: 24237268

10

Dehalogenation of aromatics by nucleophilic aromatic substitution.

Sadowsky D, McNeill K, Cramer CJ. Sadowsky D, et al. Among authors: cramer cj. Environ Sci Technol. 2014 Sep 16;48(18):10904-11. doi: 10.1021/es5028822. Epub 2014 Aug 27. Environ Sci Technol. 2014. PMID: 25133312

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