List of works - Tom Sundius

Ab initio/DFT electronic structure calculations, spectroscopic studies and normal coordinate analysis of 2-chloro-5-bromopyridine.

scientific article published on 25 June 2010

An experimental and theoretical study of the vibrational spectra and structure of Isosorbide dinitrate

scientific article published on 14 March 2013

Analysis of vibrational spectra of some new E- and Z-4-arylidene-3-isochromanones; Part 2. Isomers and conformers of the 2'-pyrrolyl and 2'-nitrophenyl derivatives

scientific article published in October 2004

Applicability of the SQM force field method to the vibrational spectra of sodium acetate

scientific article published on 01 September 2005

Crystal structure, Hirshfeld surfaces and DFT computation of NLO active (2E)-2-(ethoxycarbonyl)-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino] prop-2-enoic acid.

scientific article published on 6 September 2015

Density functional theory study of vibrational spectra and assignment of fundamental vibrational modes of 1-methyl-4-piperidone

scientific article published on 12 January 2007

Hydrogen bonding and molecular vibrations of 3,5-diamino-1,2,4-triazole

scientific article published in January 2005

Molecular docking, spectroscopic studies and quantum calculations on nootropic drug.

scientific article published on 11 December 2013

Molecular structural, non-linear optical, second order perturbation and Fukui studies of Indole-3-Aldehyde using density functional calculations

scientific article published on 19 January 2013

QM/MM methodology, docking and spectroscopic (FT-IR/FT-Raman, NMR, UV) and Fukui function analysis on adrenergic agonist

scientific article published on 18 September 2014

Quantum mechanical, spectroscopic studies (FT-IR, FT-Raman, NMR, UV) and normal coordinates analysis on 3-([2-(diaminomethyleneamino) thiazol-4-yl] methylthio)-N'-sulfamoylpropanimidamide

scientific article published on 21 February 2013

Rearrangements of [C(6)H(7)Si](+) cations. A radiochemical and quantum chemical study.

scientific article published in May 2009

Scaled quantum chemical calculations and FTIR, FT-Raman spectral analysis of 3,4-diamino benzophenone

scientific article published on 8 June 2005

Testing a new analytical approach for determination of vibrational transition moment directions in low symmetry planar molecules: 1-D- and 2-D-naphthalene

scientific article published on 24 August 2012

Vibrational analyses of 1,3-dibenzoyl-4,5-dihydro-1H-imidazole-2-thione and 1,3-dibenzoyl tetrahydropyrimidine-2(1H)-thione by normal coordinate treatment

scientific article

Vibrational spectra of silatranes and germatranes XM(OCH2CH2)3N (X=F,Cl,H; M=Si,Ge). The problem of the theoretical prediction of condensed phase spectra ⬇️

scientific article published on April 26, 2012

Vibrational spectra of trimethylsilanol. The problem of the assignment of the SiOH group frequencies.

scientific article published in April 2004

Vibrational spectra, ab initio/DFT electronic structure calculations, and normal coordinate analysis of 2-bromo-5-fluorobenzaldehyde

scientific article published on 6 October 2009

List of works by Tom Sundius