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Items: 1 to 20 of 155

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Are structures with Al-H bonds represented in the photoelectron spectrum of Al3O4H2-?

Guevara-García A, Martínez A, Ortiz JV.

J Chem Phys. 2006 Jun 7;124(21):214304.

PMID:
16774404
4.

Addition of NH3 to Al3O3-.

Wyrwas RB, Jarrold CC, Das U, Raghavachari K.

J Chem Phys. 2006 May 28;124(20):201101.

PMID:
16774304
5.

Sequential addition of H2O, CH3OH, and NH3 to Al3O3-: a theoretical study.

Guevara-García A, Martínez A, Ortiz JV.

J Chem Phys. 2007 Jan 14;126(2):024309.

PMID:
17228956
6.

Tautomeric forms of azolide anions: vertical electron detachment energies and Dyson orbitals.

Melin J, Singh RK, Mishra MK, Ortiz JV.

J Phys Chem A. 2007 Dec 20;111(50):13069-74. Epub 2007 Nov 15.

PMID:
18001010
8.

Stepwise hydration of the cyanide anion: a temperature-controlled photoelectron spectroscopy and ab initio computational study of CN-(H2O)n, n=2-5.

Wang XB, Kowalski K, Wang LS, Xantheas SS.

J Chem Phys. 2010 Mar 28;132(12):124306. doi: 10.1063/1.3360306.

PMID:
20370122
9.

A photoelectron spectroscopic and computational study of sodium auride clusters, NanAun- (n = 1-3).

Cui LF, Lin YC, Sundholm D, Wang LS.

J Phys Chem A. 2007 Aug 9;111(31):7555-61. Epub 2007 May 10.

PMID:
17489566
10.

Direct and indirect detachment in the iodide-pyrrole cluster anion: the role of dipole bound and neutral cluster states.

Mbaiwa F, Van Duzor M, Wei J, Mabbs R.

J Phys Chem A. 2010 Jan 28;114(3):1539-47. doi: 10.1021/jp9085798.

PMID:
19928771
11.

Electron binding energies and Dyson orbitals of Al5Om- (m=3,4,5) and Al5O5H2-.

Guevara-García A, Martínez A, Ortiz JV.

J Chem Phys. 2007 Dec 21;127(23):234302.

PMID:
18154377
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13.

Base and phosphate electron detachment energies of deoxyribonucleotide anions.

Zakjevskii VV, King SJ, Dolgounitcheva O, Zakrzewski VG, Ortiz JV.

J Am Chem Soc. 2006 Oct 18;128(41):13350-1.

PMID:
17031935
14.

Theoretical evidence of barrier-free proton transfer in 7-azaindole-water cluster anions.

Chen HY, Young PY, Hsu SC.

J Chem Phys. 2009 Apr 28;130(16):165101. doi: 10.1063/1.3120604.

PMID:
19405633
15.

Microhydration shell structure in Cl2*-.nH2O clusters: A theoretical study.

Pathak AK, Mukherjee T, Maity DK.

J Chem Phys. 2006 Aug 21;125(7):074309.

PMID:
16942341
16.

Structures, energetics, and spectra of hydrated hydroxide anion clusters.

Lee HM, Tarkeshwar P, Kim KS.

J Chem Phys. 2004 Sep 8;121(10):4657-64.

PMID:
15332897
17.

Assignment of photoelectron spectra of halide-water clusters: contrasting patterns of delocalization in Dyson orbitals.

Dolgounitcheva O, Zakrzewski VG, Ortiz JV.

J Chem Phys. 2013 Apr 28;138(16):164317. doi: 10.1063/1.4802251.

PMID:
23635148
18.

Electron propagator calculations show that alkyl substituents alter porphyrin ionization energies.

Dolgounitcheva O, Zakrzewski VG, Ortiz JV.

J Am Chem Soc. 2005 Jun 15;127(23):8240-1.

PMID:
15941230
19.

Electronic structure analysis and electron detachment energies of polynitrogen pentagonal aromatic anions.

Melin J, Mishra MK, Ortiz JV.

J Phys Chem A. 2006 Nov 9;110(44):12231-5.

PMID:
17078619
20.

Microsolvation of the dicyanamide anion: [N(CN)(2)(-)](H(2)O)n (n = 0-12).

Jagoda-Cwiklik B, Wang XB, Woo HK, Yang J, Wang GJ, Zhou M, Jungwirth P, Wang LS.

J Phys Chem A. 2007 Aug 16;111(32):7719-25. Epub 2007 Jul 20.

PMID:
17658734
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