Haiduke RLA - Search Results

1

Tunneling Enhancement of the Gas-Phase CH + CO₂ Reaction at Low Temperature.

Nuñez-Reyes D, Hickson KM, Loison JC, Spada RFK, Vichietti RM, Machado FBC, Haiduke RLA. Nuñez-Reyes D, et al. Among authors: haiduke rla. J Phys Chem A. 2020 Dec 24;124(51):10717-10725. doi: 10.1021/acs.jpca.0c08070. Epub 2020 Dec 15. J Phys Chem A. 2020. PMID: 33320001

2

A Proposal for the Mechanism of the CH + CO₂ Reaction.

Vichietti RM, Spada RFK, da Silva ABF, Machado FBC, Haiduke RLA. Vichietti RM, et al. Among authors: haiduke rla. ACS Omega. 2019 Oct 17;4(18):17843-17849. doi: 10.1021/acsomega.9b02530. eCollection 2019 Oct 29. ACS Omega. 2019. PMID: 31681892 Free PMC article.

3

The relativistic effects on the methane activation by gold(I) cations.

Santiago RT, Vichietti RM, Machado FBC, Haiduke RLA. Santiago RT, et al. Among authors: haiduke rla. J Chem Phys. 2021 Jun 28;154(24):244113. doi: 10.1063/5.0053881. J Chem Phys. 2021. PMID: 34241346

4

Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H₂ rich environment.

Vichietti RM, Spada RFK, Machado FBC, Haiduke RLA. Vichietti RM, et al. Among authors: haiduke rla. J Mol Model. 2022 Jul 24;28(8):229. doi: 10.1007/s00894-022-05207-7. J Mol Model. 2022. PMID: 35871116

5

Accurate Rate Constants for the Forward and Reverse H + CO ↔ HCO Reactions at the High-Pressure Limit.

Vichietti RM, Machado FBC, Haiduke RLA. Vichietti RM, et al. Among authors: haiduke rla. ACS Omega. 2020 Sep 11;5(37):23975-23982. doi: 10.1021/acsomega.0c03267. eCollection 2020 Sep 22. ACS Omega. 2020. PMID: 32984718 Free PMC article.

6

The infrared fundamental intensities of some cyanopolyynes.

Vichietti RM, Haiduke RL. Vichietti RM, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2012 May;90:1-11. doi: 10.1016/j.saa.2012.01.005. Epub 2012 Jan 9. Spectrochim Acta A Mol Biomol Spectrosc. 2012. PMID: 22297091

7

A theoretical systematic study of a series of isocyanopolyynes.

Vichietti RM, Haiduke RL. Vichietti RM, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2013 Oct;114:197-204. doi: 10.1016/j.saa.2013.05.066. Epub 2013 May 30. Spectrochim Acta A Mol Biomol Spectrosc. 2013. PMID: 23770509

8

QTAIM charge-charge flux-dipole flux interpretation of electronegativity and potential models of the fluorochloromethane mean dipole moment derivatives.

Silva AF, da Silva JV Jr, Haiduke RL, Bruns RE. Silva AF, et al. J Phys Chem A. 2011 Nov 17;115(45):12572-81. doi: 10.1021/jp202929s. Epub 2011 Jul 6. J Phys Chem A. 2011. PMID: 21736290

9

Systematic theoretical study of non-nuclear electron density maxima in some diatomic molecules.

Terrabuio LA, Teodoro TQ, Rachid MG, Haiduke RL. Terrabuio LA, et al. J Phys Chem A. 2013 Oct 10;117(40):10489-96. doi: 10.1021/jp406992q. Epub 2013 Sep 30. J Phys Chem A. 2013. PMID: 24020914

10

Quantum theory of atoms in molecules charge-charge flux-dipole flux models for the infrared intensities of X(2)CY (X = H, F, Cl; Y = O, S) molecules.

Faria SH, da Silva JV Jr, Haiduke RL, Vidal LN, Vazquez PA, Bruns RE. Faria SH, et al. J Phys Chem A. 2007 Aug 16;111(32):7870-5. doi: 10.1021/jp072763f. Epub 2007 Jul 6. J Phys Chem A. 2007. PMID: 17616111

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