Tom Sundius - Publications, H-index & Citations

Tom Sundius

university of helsinki

23H指数

75论文数

3.3K被引数

收录论文 25

发表时间

Structural and vibrational characterization of di-hydrated hydrochloride tacrine combining DFT with SQMFF approach

HELIYON

IF3.6

2023-10-01

OAAI

Sundius, Tom; Brandan, Silvia Antonia

Structural, harmonic force field and vibrational studies of cholinesterase inhibitor tacrine used for treatment of Alzheimer's disease

HELIYON

IF3.6

2023-06-01

OAAI

Sundius, Tom; Brandan, Silvia Antonia

A combined study on structures and vibrational spectra of the antiviral rimantadine using SQMFF and DFT calculations

HELIYON

IF3.6

2022-08-01

OAAI

Iramain, Maximiliano A.; Ruiz Hidalgo, Jose; Sundius, Tom; Antonia Brandan, Silvia

Spectroscopic, quantum mechanical, electronic excitation properties (Ethanol solvent), DFT investigations and molecular docking analysis of an anti-cancer drug Bendamustine

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2022-04-01

PREAI

Ramana, P. Venkata; Sundius, Tom; Muthu, S.; Mouli, K. Chandra; Krishna, Y. Rama; Prasad, K. Venkata; Devi, R. Niranjana; Irfan, Ahmad; Santhamma, C.

Vibrational and electronic properties of 4′-halomethyl-2-biphenylcarbonitrile compounds

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2017-09-01

PREAI

Rao, Y. B. Shankar; Veeraiah, V.; Sundius, Tom; Chaitanya, Kadali

Structural investigation of (2E)-2-(ethoxycarbonyl)-3-[(4-methoxyphenyl)amino]prop-2-enoic acid: X-ray crystal structure, spectroscopy and DFT

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2016-09-01

PREAI

Venkatesan, Perumal; Rajakannan, Venkatachalam; Venkataramanan, Natarajan S.; Ilangovan, Andivelu; Sundius, Tom; Thamotharan, Subbiah

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

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2016-01-01

258

PREAI

Venkatesan, Perumal; Thamotharan, Subbiah; Ilangovan, Andivelu; Liang, Hongze; Sundius, Tom

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

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2015-02-01

PREAI

Maheswari, J. Uma; Muthu, S.; Sundius, Tom

Molecular docking, spectroscopic studies and quantum calculations on nootropic drug

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2014-04-01

PREAI

Maheswari, J. Uma; Muthu, S.; Sundius, Tom

An experimental and theoretical study of the vibrational spectra and structure of Isosorbide dinitrate 硝酸异山梨酯振动光谱和结构的实验和理论研究

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2013-05-01

PREAI

Maheswari, J. Uma; Muthu, S.; Sundius, Tom

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

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2013-05-01

PREAI

Muthu, S.; Maheswari, J. Uma; Sundius, Tom

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

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2013-04-01

PREAI

Muthu, S.; Maheswari, J. Uma; Sundius, Tom

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

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2012-12-01

PREAI

Gumus, Sedat; Sundius, Tom; Yilmaz, Veysel Turan

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

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2012-12-01

PREAI

Rogojerov, Marin; Keresztury, Gabor; Kamenova-Nacheva, Mariana; Sundius, Tom

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

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2012-09-01

PREAI

Ignatyev, Igor S.; Sundius, Tom

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

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2010-12-01

PREAI

Hiremath, C. S.; Yenagi, Jayashree; Tonannavar, J.; Sundius, Tom

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

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2009-12-01

PREAI

Hiremath, C. S.; Sundius, Tom

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

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2007-11-01

PREAI

Krishnakumar, V.; Keresztury, Gabor; Sundius, Tom; Seshadri, S.

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

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2005-12-01

PREAI

Krishnakumar, V; Muthunatesan, S; Keresztury, G; Sundius, T

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

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2005-01-01

PREAI

Kumar, VK; Keresztury, G; Sundius, T; Xavier, RJ

研究方向