Sundius, Tom : rechercher sur Z-Library

Le plus grand référentiel d'articles scientifiques au monde. 70,000,000+ d'articles gratuitement.

Don't use scam websites

Livres
Articles (42)
Les plus populaires
Liste
- Liste
- Tableau

1

Bonding in germatranyl cation and germatranes

Igor S Ignatyev, Tom R. Sundius, Dmitriy V. Vrazhnov, Tatiana A. Kochina, Mikhail G. Voronkov

Journal:

Journal of Organometallic Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 144 KB

english, 2007

2

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

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

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2013

Langue:

english

Fichier:

PDF, 1.44 MB

english, 2013

3

Molecular docking, spectroscopic studies and quantum calculations on nootropic drug

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

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2014

Langue:

english

Fichier:

PDF, 1.63 MB

english, 2014

4

Multiple vibrational resonances in the Raman spectra of liquid ethanes

Jouko Korppi-Tommola, Tom Sundius, H. F. Shurvell, S. J. Daunt

Journal:

Journal of Raman Spectroscopy

Année:

1990

Langue:

english

Fichier:

PDF, 670 KB

english, 1990

5

Inclusion of non-bonded interactions in calculations of vibrational frequencies

Tom Sundius, Kjeld Rasmussen

Journal:

Journal of Molecular Structure

Année:

1980

Langue:

english

Fichier:

PDF, 298 KB

english, 1980

6

Theoretical models for the description of the IR frequency shifts of carbon monoxide interacting with silanol groups

Igor S. Ignatyev, Tom Sundius

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 185 KB

english, 2005

7

Rearrangement and decomposition of (CH3)3M+ (M = Si, Ge, Sn) ions: A DFT study

Igor S. Ignatyev, Tom Sundius

Journal:

Journal of Organometallic Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 391 KB

english, 2008

8

Simulation of IR and Raman spectra based on scaled DFT force fields: a case study of 2-(methylthio)benzonitrile, with emphasis on band assignment

V. Krishnakumar, Gábor Keresztury, Tom Sundius, R. Ramasamy

Journal:

Journal of Molecular Structure

Année:

2004

Langue:

english

Fichier:

PDF, 249 KB

english, 2004

9

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

Igor S Ignatyev, F Partal, J.J López González, Tom Sundius

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2004

Langue:

english

Fichier:

PDF, 134 KB

english, 2004

10

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

V.Krishna Kumar, Gabor Keresztury, Tom Sundius, R.John Xavier

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2005

Langue:

english

Fichier:

PDF, 108 KB

english, 2005

11

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

V. Krishnakumar, S. Muthunatesan, Gabor Keresztury, Tom Sundius

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2005

Langue:

english

Fichier:

PDF, 167 KB

english, 2005

12

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

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

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2007

Langue:

english

Fichier:

PDF, 257 KB

english, 2007

13

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

C.S. Hiremath, Tom Sundius

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2009

Langue:

english

Fichier:

PDF, 299 KB

english, 2009

14

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

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

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2010

Langue:

english

Fichier:

PDF, 424 KB

english, 2010

15

FT-Raman and FTIR spectra, normal coordinate analysis and ab initio computations of (2-methylphenoxy)acetic acid dimer

C. James, C. Ravikumar, Tom Sundius, V. Krishnakumar, R. Kesavamoorthy, V.S. Jayakumar, I. Hubert Joe

Journal:

Vibrational Spectroscopy

Année:

2008

Langue:

english

Fichier:

PDF, 350 KB

english, 2008

16

Competitive ring hydride shifts and tolyl-benzyl rearrangements in tolyl and silatolyl cations

Igor S. Ignatyev, Tom Sundius

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 291 KB

english, 2000

17

Vibrational spectra and structure of X3AlOPX3 (XF,Cl)

Igor S., Tom Sundius

Journal:

Journal of Molecular Structure

Année:

1999

Langue:

english

Fichier:

PDF, 107 KB

english, 1999

18

Analysis of vibrational spectra of some new E- and Z-4-arylidene-3-isochromanones

Gábor Keresztury, Sándor Holly, Tom Sundius, Tamás Lóránd

Journal:

Vibrational Spectroscopy

Année:

2002

Langue:

english

Fichier:

PDF, 237 KB

english, 2002

19

A modified Urey-Bradley force field for 2-chloropropane and its deuterated derivatives

Journal:

Journal of Molecular Spectroscopy

Année:

1977

Langue:

english

Fichier:

PDF, 576 KB

english, 1977

20

Molecular torsion: Comparison of harmonic oscillator and free rotor bases

Journal:

Journal of Molecular Spectroscopy

Année:

1979

Langue:

english

Fichier:

PDF, 1.28 MB

english, 1979

21

A new damped least-squares method for the calculation of molecular force fields

Journal:

Journal of Molecular Spectroscopy

Année:

1980

Langue:

english

Fichier:

PDF, 829 KB

english, 1980

22

Structure and vibrational spectra of vinyl ether conformers. The comparison of B3LYP and MP2 predictions

Igor S. Ignatyev, Manuel Montejo, Tom Sundius, Francisco Partal Ureña, Juan Jesús López González

Journal:

Chemical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 221 KB

english, 2007

23

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

Igor S. Ignatyev, Tom Sundius

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2012

Langue:

english

Fichier:

PDF, 330 KB

english, 2012

24

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

Gábor Keresztury, Sándor Holly, Krisztina István, Tom Sundius, Tamás Lóránd

Journal:

Journal of Biochemical and Biophysical Methods

Année:

2004

Langue:

english

Fichier:

PDF, 891 KB

english, 2004

25

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

Sedat Gumus, Tom Sundius, Veysel Turan Yilmaz

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2012

Langue:

english

Fichier:

PDF, 484 KB

english, 2012

26

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

Marin Rogojerov, Gábor Keresztury, Mariana Kamenova-Nacheva, Tom Sundius

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2012

Langue:

english

Fichier:

PDF, 1.10 MB

english, 2012

27

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

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

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2013

Langue:

english

Fichier:

PDF, 1.05 MB

english, 2013

28

Synthesis, crystal growth, thermal studies and scaled quantum chemical studies of structural and vibrational spectra of the highly efficient organic NLO crystal: 1-(4-Aminophenyl)-3-(3,4-dimethoxyphenyl)-prop-2-en-1-one

Joseph, Lynnette, Sajan, D., Shettigar, Venkataraya, Chaitanya, K., Misra, Neeraj, Sundius, Tom, Němec, I.

Journal:

Materials Chemistry and Physics

Année:

2013

Langue:

english

Fichier:

PDF, 1.63 MB

english, 2013

29

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

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

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2013

Langue:

english

Fichier:

PDF, 999 KB

english, 2013

30

Applicability of the SQM Force Field Method to the Vibrational Spectra of Sodium Acetate

Keresztury, Gábor, István, Krisztina, Sundius, Tom

Journal:

Journal of Physical Chemistry A

Année:

2005

Langue:

english

Fichier:

PDF, 179 KB

english, 2005

31

Reactions of Phenyl Cations with Methanol and Methyl Fluoride

Ignatyev, Igor S., Sundius, Tom

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 81 KB

english, 2001

32

Rearrangements of [C 6 H 7 Si] + Cations. A Radiochemical and Quantum Chemical Study

Ignatyev, Igor S., Sundius, Tom, Kochina, T. A., Avrorin, V. V., Sinotova, E. N.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 919 KB

english, 2009

33

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

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

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2015

Langue:

english

Fichier:

PDF, 2.35 MB

english, 2015

34

Reply to Comment on “Reactions of Phenyl Cations with Methanol and Methyl Fluoride”

Ignatyev, Igor S., Sundius, Tom

Journal:

Journal of Physical Chemistry A

Année:

2002

Langue:

english

Fichier:

PDF, 19 KB

english, 2002

35

Mechanism of Rearrangement and Alkene Addition/Elimination Reactions of SiC 3 H 9+

Ignatyev, Igor S., Sundius, Tom

Journal:

Organometallics

Année:

1998

Langue:

english

Fichier:

PDF, 186 KB

english, 1998

36

Potential Energy Surface of the Dimethylsilylium Cation and Mechanism of the Isomer Interconversion

Ignatyev, Igor S., Sundius, Tom

Journal:

Organometallics

Année:

1996

Langue:

english

Fichier:

PDF, 104 KB

english, 1996

37

A Density Functional, Infrared Linear Dichroism, and Normal Coordinate Study of Phenol and its Deuterated Derivatives: Revised Interpretation of the Vibrational Spectra

Keresztury, Gábor, Billes, Ferenc, Kubinyi, Miklós, Sundius, Tom

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 177 KB

english, 1998

38

Vibrational spectral analysis, electronic absorption and non-linear optical behavior of (E)-1-(2,4,6-trimethoxyphenyl)pent-1-en-3-one

S., Alen, Sajan, D., K., Job Sabu, Sundius, Tom, K., Chaitanya, Blockhuys, Frank, V., Bena Jothy

Journal:

Vibrational Spectroscopy

Année:

2015

Langue:

english

Fichier:

PDF, 1008 KB

english, 2015

39

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

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

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2015

Langue:

english

Fichier:

PDF, 1.73 MB

english, 2015

40

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

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

Journal:

Journal of Molecular Structure

Année:

2016

Langue:

english

Fichier:

PDF, 2.35 MB

english, 2016

41

Qualitative and quantitative approach towards the molecular understanding of structural, vibrational and optical features of urea ninhydrin monohydrate

Sasikala, V., Sajan, D., Chaitanya, K., Sundius, Tom, Devi, T. Uma

Journal:

Materials Chemistry and Physics

Année:

2017

Langue:

english

Fichier:

PDF, 1.15 MB

english, 2017

42

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

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

Journal:

Journal of Molecular Structure

Année:

2017

Langue:

english

Fichier:

PDF, 2.36 MB

english, 2017