Beratan DN - Search Results

1

Exploring chemical space with discrete, gradient, and hybrid optimization methods.

Balamurugan D, Yang W, Beratan DN. Balamurugan D, et al. Among authors: beratan dn. J Chem Phys. 2008 Nov 7;129(17):174105. doi: 10.1063/1.2987711. J Chem Phys. 2008. PMID: 19045331

2

Towards Raman optical activity calculations of large molecules.

Zuber G, Goldsmith MR, Beratan DN, Wipf P. Zuber G, et al. Among authors: beratan dn. Chemphyschem. 2005 Apr;6(4):595-7. doi: 10.1002/cphc.200400544. Chemphyschem. 2005. PMID: 15881572 No abstract available.

3

The chiroptical signature of achiral metal clusters induced by dissymmetric adsorbates.

Goldsmith MR, George CB, Zuber G, Naaman R, Waldeck DH, Wipf P, Beratan DN. Goldsmith MR, et al. Among authors: beratan dn. Phys Chem Chem Phys. 2006 Jan 7;8(1):63-7. doi: 10.1039/b511563a. Epub 2005 Nov 17. Phys Chem Chem Phys. 2006. PMID: 16482245

4

Designing molecules by optimizing potentials.

Wang M, Hu X, Beratan DN, Yang W. Wang M, et al. Among authors: beratan dn. J Am Chem Soc. 2006 Mar 15;128(10):3228-32. doi: 10.1021/ja0572046. J Am Chem Soc. 2006. PMID: 16522103

5

Solvent effect on optical rotation: A case study of methyloxirane in water.

Mukhopadhyay P, Zuber G, Goldsmith MR, Wipf P, Beratan DN. Mukhopadhyay P, et al. Among authors: beratan dn. Chemphyschem. 2006 Dec 11;7(12):2483-6. doi: 10.1002/cphc.200600477. Chemphyschem. 2006. PMID: 17072929 No abstract available.

6

Designing molecules with optimal properties using the linear combination of atomic potentials approach in an AM1 semiempirical framework.

Keinan S, Hu X, Beratan DN, Yang W. Keinan S, et al. Among authors: beratan dn. J Phys Chem A. 2007 Jan 11;111(1):176-81. doi: 10.1021/jp0646168. J Phys Chem A. 2007. PMID: 17201401

7

Exploring the optical activity tensor by anisotropic Rayleigh optical activity scattering.

Zuber G, Wipf P, Beratan DN. Zuber G, et al. Among authors: beratan dn. Chemphyschem. 2008 Feb 1;9(2):265-71. doi: 10.1002/cphc.200700660. Chemphyschem. 2008. PMID: 18219646

8

Hepatitis C virus NS5B polymerase: QM/MM calculations show the important role of the internal energy in ligand binding.

Parks JM, Kondru RK, Hu H, Beratan DN, Yang W. Parks JM, et al. Among authors: beratan dn. J Phys Chem B. 2008 Mar 13;112(10):3168-76. doi: 10.1021/jp076885j. Epub 2008 Feb 14. J Phys Chem B. 2008. PMID: 18271573

9

Inverse molecular design in a tight-binding framework.

Xiao D, Yang W, Beratan DN. Xiao D, et al. Among authors: beratan dn. J Chem Phys. 2008 Jul 28;129(4):044106. doi: 10.1063/1.2955756. J Chem Phys. 2008. PMID: 18681633

10

A donor-nanotube paradigm for nonlinear optical materials.

Xiao D, Bulat FA, Yang W, Beratan DN. Xiao D, et al. Among authors: beratan dn. Nano Lett. 2008 Sep;8(9):2814-8. doi: 10.1021/nl801388z. Epub 2008 Aug 12. Nano Lett. 2008. PMID: 18698728

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

184 results

Search Page

Filters