Dawes R - Search Results

1

Computational study of the rovibrational spectrum of CO₂-N₂.

Quintas-Sánchez E , Dawes R , Wang XG , Carrington T . Quintas-Sánchez E , et al. Among authors: dawes r. Phys Chem Chem Phys. 2020 Oct 15;22(39):22674-22683. doi: 10.1039/d0cp04186f. Phys Chem Chem Phys. 2020. PMID: 33016299

2

A multidimensional discrete variable representation basis obtained by simultaneous diagonalization.

Dawes R, Carrington T. Dawes R, et al. J Chem Phys. 2004 Jul 8;121(2):726-36. doi: 10.1063/1.1758941. J Chem Phys. 2004. PMID: 15260599

3

How to choose one-dimensional basis functions so that a very efficient multidimensional basis may be extracted from a direct product of the one-dimensional functions: energy levels of coupled systems with as many as 16 coordinates.

Dawes R, Carrington T Jr. Dawes R, et al. J Chem Phys. 2005 Apr 1;122(13):134101. doi: 10.1063/1.1863935. J Chem Phys. 2005. PMID: 15847449

4

Using simultaneous diagonalization and trace minimization to make an efficient and simple multidimensional basis for solving the vibrational Schrodinger equation.

Dawes R, Carrington T. Dawes R, et al. J Chem Phys. 2006 Feb 7;124(5):054102. doi: 10.1063/1.2162168. J Chem Phys. 2006. PMID: 16468846

5

A nested molecule-independent neural network approach for high-quality potential fits.

Manzhos S, Wang X, Dawes R, Carrington T Jr. Manzhos S, et al. Among authors: dawes r. J Phys Chem A. 2006 Apr 27;110(16):5295-304. doi: 10.1021/jp055253z. J Phys Chem A. 2006. PMID: 16623455

6

Nitrous oxide dimer: a new potential energy surface and rovibrational spectrum of the nonpolar isomer.

Dawes R, Wang XG, Jasper AW, Carrington T Jr. Dawes R, et al. J Chem Phys. 2010 Oct 7;133(13):134304. doi: 10.1063/1.3494542. J Chem Phys. 2010. PMID: 20942536

7

Communication: highly accurate ozone formation potential and implications for kinetics.

Dawes R, Lolur P, Ma J, Guo H. Dawes R, et al. J Chem Phys. 2011 Aug 28;135(8):081102. doi: 10.1063/1.3632055. J Chem Phys. 2011. PMID: 21895148

8

Computational study of the rovibrational spectrum of (OCS)2.

Brown J, Wang XG, Dawes R, Carrington T Jr. Brown J, et al. Among authors: dawes r. J Chem Phys. 2012 Apr 7;136(13):134306. doi: 10.1063/1.3697679. J Chem Phys. 2012. PMID: 22482551

9

CO dimer: new potential energy surface and rovibrational calculations.

Dawes R, Wang XG, Carrington T Jr. Dawes R, et al. J Phys Chem A. 2013 Aug 15;117(32):7612-30. doi: 10.1021/jp404888d. Epub 2013 Jun 28. J Phys Chem A. 2013. PMID: 23738948

10

Communication: An accurate global potential energy surface for the ground electronic state of ozone.

Dawes R, Lolur P, Li A, Jiang B, Guo H. Dawes R, et al. J Chem Phys. 2013 Nov 28;139(20):201103. doi: 10.1063/1.4837175. J Chem Phys. 2013. PMID: 24289336

We report a new full-dimensional and global potential energy surface (PES) for the O + O2 O3 ozone forming reaction based on explicitly correlated multireference configuration interaction (MRCI-F12) data. It extends our previous [R. Dawes, P. Lolur, J. Ma, and H. Gu …

We report a new full-dimensional and global potential energy surface (PES) for the O + O2 O3 ozone forming reaction based on explicitly corr …

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