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List of works by Lars Ojamäe

A model for carbon incorporation from trimethyl gallium in chemical vapor deposition of gallium nitride

article

A theoretical study of water clusters: the relation between hydrogen-bond topology and interaction energy from quantum-chemical computations for clusters with up to 22 molecules

scientific article published on 01 May 2005

A theoretical study of water equilibria: the cluster distribution versus temperature and pressure for (H2O)n, n = 1-60, and ice.

scientific article published in October 2009

Ab Initio Study of Growth Mechanism of 4H–SiC: Adsorption and Surface Reaction of C2H2, C2H4, CH4, and CH3

Adsorption and surface diffusion of silicon growth species in silicon carbide chemical vapour deposition processes studied by quantum-chemical computations

article

Amorphous on the surface

scientific article published on 23 September 2011

An investigation of H-atom positions in sulfuric acid crystal structures

scientific article published on 18 March 2004

Brominated Chemistry for Chemical Vapor Deposition of Electronic Grade SiC

C-C stretching Raman spectra and stabilities of hydrocarbon molecules in natural gas hydrates: a quantum chemical study

scientific article published on 26 November 2014

Clathrate ice sL: a new crystalline phase of ice with ultralow density predicted by first-principles phase diagram computations

scientific article published on 13 March 2018

Comment on "Energetics of Hydrogen Bond Network Rearrangements in Liquid Water"

scientific article published in Science

Computational study of the catalytic effect of platinum on the decomposition of DNT

Dye-Sensitization of the TiO2 Rutile (110) Surface by Perylene Dyes:  Quantum-Chemical Periodic B3LYP Computations

Electronic structure effects from hydrogen bonding in the liquid phase and in chemisorption: an integrated theory and experimental effort

scientific article published on 01 March 2001

Fingerprints in IR OH vibrational spectra of H2O clusters from different H-bond conformations by means of quantum-chemical computations

scientific article published on 16 May 2014

Full Dimensional Quantum Calculations of Vibrational Energies of H5O2+†

scientific article published in September 2003

Growth Mechanism of SiC CVD: Surface Etching by H2, H Atoms, and HCl.

scientific article published on 7 February 2018

Growth Mechanism of SiC Chemical Vapor Deposition: Adsorption and Surface Reactions of Active Si Species

Hydrogen bond topology and the ice VII/VIII and Ih/XI proton ordering phase transitions

scientific article

IR and quantum-chemical studies of carboxylic acid and glycine adsorption on rutile TiO2 nanoparticles

scientific article published on 12 September 2005

Matching precursor kinetics to afford a more robust CVD chemistry: a case study of the C chemistry for silicon carbide using SiF4 as Si precursor

scholarly article by Pontus Stenberg et al published 2017 in Journal of Materials Chemistry C

Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions.

scientific article published on 17 May 2016

On the change of preferential growth orientation in chemical vapor deposition of titanium carbide by aromatic hydrocarbon precursors

scholarly article by Henrik Pedersen et al published March 2013 in Journal of Vacuum Science & Technology A

Quantum chemical prediction of the adsorption conformations and dynamics at HCOOH-covered ZnO(1010) surfaces

article

Raman and IR Spectra of Ice Ih and Ice XI with an Assessment of DFT Methods

scientific article published in October 2016

Revisiting the Thermochemical Database of Si-C-H System Related to SiC CVD Modeling

Shortcomings of CVD modeling of SiC today

Silicon Chemistry in Fluorinated Chemical Vapor Deposition of Silicon Carbide

scholarly article by Pontus Stenberg et al published 30 January 2017 in Journal of Physical Chemistry C

Spectroscopic probing of local hydrogen-bonding structures in liquid water

Structures of the I-, II- and H-methane clathrates and the ice-methane clathrate phase transition from quantum-chemical modeling with force-field thermal corrections.

scientific article published on 22 February 2011

Surface interactions between Y2O3 nanocrystals and organic molecules—an experimental and quantum-chemical study

article

The electronic structure and reflectivity of PEDOT:PSS from density functional theory

article published in 2011

The electronic structure of free water clusters probed by Auger electron spectroscopy

scientific article published on 01 August 2005

The inhomogeneous structure of water at ambient conditions

scientific article

The local structure of protonated water from x-ray absorption and density functional theory

scientific article published on 01 May 2006

The structure of the first coordination shell in liquid water

scientific article

Theoretical IR Spectra for Water Clusters (H2O)n(n= 6−22, 28, 30) and Identification of Spectral Contributions from Different H-Bond Conformations in Gaseous and Liquid Water

scientific article published on 01 December 2006

Thermal study of an indium trisguanidinate as a possible indium nitride precursor

scholarly article by Sydney C. Buttera et al published January 2018 in Journal of Vacuum Science & Technology A

Thermochemical Properties of Halides and Halohydrides of Silicon and Carbon

Towards biocompatibility of RE2O3 nanocrystals - water and organic molecules chemisorbed on Gd2O3 and Y2O3 nanocrystals studied by quantum-chemical computations

scientific article

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