Francisco JS - Search Results

1

Communication: theoretical prediction of the structure and spectroscopic properties of the X̃ and Ã states of hydroxymethyl peroxy (HOCH2OO) radical.

Delcey MG, Lindh R, Linguerri R, Hochlaf M, Francisco JS. Delcey MG, et al. Among authors: francisco js. J Chem Phys. 2013 Jan 14;138(2):021105. doi: 10.1063/1.4775782. J Chem Phys. 2013. PMID: 23320661

2

Structures and heats of formation of the neutral and ionic PNO, NOP, and NPO systems from electronic structure calculations.

Grant DJ, Dixon DA, Kemeny AE, Francisco JS. Grant DJ, et al. Among authors: francisco js. J Chem Phys. 2008 Apr 28;128(16):164305. doi: 10.1063/1.2902983. J Chem Phys. 2008. PMID: 18447437

3

Structure, spectroscopic properties, and photochemistry of the hydroxymethoxy radical.

Eisfeld W, Francisco JS. Eisfeld W, et al. Among authors: francisco js. J Chem Phys. 2009 Oct 7;131(13):134313. doi: 10.1063/1.3231145. J Chem Phys. 2009. PMID: 19814559

4

The trans-HOCO radical: quartic force fields, vibrational frequencies, and spectroscopic constants.

Fortenberry RC, Huang X, Francisco JS, Crawford TD, Lee TJ. Fortenberry RC, et al. Among authors: francisco js. J Chem Phys. 2011 Oct 7;135(13):134301. doi: 10.1063/1.3643336. J Chem Phys. 2011. PMID: 21992299

5

Vibrational frequencies and spectroscopic constants from quartic force fields for cis-HOCO: the radical and the anion.

Fortenberry RC, Huang X, Francisco JS, Crawford TD, Lee TJ. Fortenberry RC, et al. Among authors: francisco js. J Chem Phys. 2011 Dec 7;135(21):214303. doi: 10.1063/1.3663615. J Chem Phys. 2011. PMID: 22149788

6

Structural and spectroscopic study of the van der Waals complex of CO with HCO+ and the isoelectronic complex of CS with HCS+.

Cotton CE, Francisco JS, Linguerri R, Mitrushchenkov AO. Cotton CE, et al. Among authors: francisco js. J Chem Phys. 2012 May 14;136(18):184307. doi: 10.1063/1.4707336. J Chem Phys. 2012. PMID: 22583287

7

Accurate theoretical study of PS(q) (q = 0,+1,-1) in the gas phase.

Ben Yaghlane S, Francisco JS, Hochlaf M. Ben Yaghlane S, et al. Among authors: francisco js. J Chem Phys. 2012 Jun 28;136(24):244309. doi: 10.1063/1.4730303. J Chem Phys. 2012. PMID: 22755576

8

Theoretical study of the spectroscopically relevant parameters for the detection of HNP(q) and HPN(q) (q = 0, +1, -1) in the gas phase.

Hochlaf M, Linguerri R, Dalal SS, Francisco JS. Hochlaf M, et al. Among authors: francisco js. J Chem Phys. 2012 Jun 28;136(24):244311. doi: 10.1063/1.4730299. J Chem Phys. 2012. PMID: 22755578

9

Coupled-cluster and multireference configuration interaction study of the low-lying excited states of the H2O2-H2O complex.

Linguerri R, Francisco JS. Linguerri R, et al. Among authors: francisco js. J Chem Phys. 2012 Dec 7;137(21):214312. doi: 10.1063/1.4769284. J Chem Phys. 2012. PMID: 23231236

10

Structural and spectroscopic study of the linear proton-bound complex of PN with HNP+.

Cotton CE, Francisco JS, Mitrushchenkov AO. Cotton CE, et al. Among authors: francisco js. J Chem Phys. 2013 Feb 21;138(7):074314. doi: 10.1063/1.4790604. J Chem Phys. 2013. PMID: 23445016

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