pH-dependent structural changes of arsenic oxoacids in solution and solid phase: Raman spectrometry and computational studies

Arsenic Speciation on Silver Nanofilms by Surface-Enhanced Raman Spectroscopy

(2019) Mingwei Yang et al.   ANALYTICAL CHEMISTRY

On the aqueous solvation of AsO(OH)3vs. As(OH)3. Born–Oppenheimer molecular dynamics density functional theory cluster studies

(2018) A. Ramírez-Solís et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Raman spectra of thiolated arsenicals with biological importance

(2018) Mingwei Yang et al.   TALANTA

Revitalizing the concept of bond order through delocalization measures in real space

(2018) Carlos Outeiral et al.   Chemical Science

Stability of hydrolytic arsenic species in aqueous solutions: As3+vs. As5+

(2018) Giuseppe Cassone et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Unique Surface Enhanced Raman Scattering Substrate for the Study of Arsenic Speciation and Detection

(2018) Shuyu Xu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Vibrational spectroscopy, electrical characterization, nonlinear optical properties and DFT calculation of (NEt4)(H2AsO4)(H3AsO4)2

(2017) Ikram Dhouib et al.   JOURNAL OF COORDINATION CHEMISTRY

Inorganic arsenic speciation by differential pulse anodic stripping voltammetry using thoria nanoparticles-carbon paste electrodes

(2016) F.J. Pereira et al.   TALANTA

Calculation of Raman optical activity spectra for vibrational analysis

(2015) Shaun T. Mutter et al.   ANALYST

The structure and energetics of arsenic(iii) oxide intercalated by ionic azides

(2014) Piotr A. Guńka et al.   DALTON TRANSACTIONS

Synthesis and Crystal Structure of Sodium Arsenate Oxyhydroxide: Na4(AsO4)OH

(2014) Karl D. zur Loye et al.   JOURNAL OF CHEMICAL CRYSTALLOGRAPHY

Quantum chemical estimation of the acidities of some inorganic oxoacids

(2014) Paul G. Seybold   MOLECULAR PHYSICS

Cyclic voltammetry of arsenic-doped cysteine-capped ceramic nanoparticles

(2013) F.J. Pereira et al.   ELECTROCHIMICA ACTA

On the Reliability of Pure and Hybrid DFT Methods for the Evaluation of Halogen, Chalcogen, and Pnicogen Bonds Involving Anionic and Neutral Electron Donors

(2013) Antonio Bauzá et al.   Journal of Chemical Theory and Computation

Computing vibrational spectra from ab initio molecular dynamics

(2013) Martin Thomas et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydration of arsenic oxyacid species

(2012) Johan Mähler et al.   DALTON TRANSACTIONS

An overview of the Amber biomolecular simulation package

(2012) Romelia Salomon-Ferrer et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Continuous surface charge polarizable continuum models of solvation. I. General formalism

(2010) Giovanni Scalmani et al.   JOURNAL OF CHEMICAL PHYSICS

Ab Initio and DFT Predictions of Infrared Intensities and Raman Activities

(2010) Elena E. Zvereva et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A comparative study of As(III) and As(V) in aqueous solutions and adsorbed on iron oxy-hydroxides by Raman spectroscopy

(2010) Katharina Müller et al.   WATER RESEARCH

Calculation of the structures, stabilities, and vibrational spectra of arsenites, thioarsenites and thioarsenates in aqueous solution

(2008) J.A. Tossell et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Systematic optimization of long-range corrected hybrid density functionals

(2008) Jeng-Da Chai et al.   JOURNAL OF CHEMICAL PHYSICS

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS