T. Sundius: search on Z-Library

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1

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

Year:

2013

Language:

english

File:

PDF, 1.44 MB

english, 2013

2

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

Year:

2014

Language:

english

File:

PDF, 1.63 MB

english, 2014

3

Pillow-lava from the Kiruna District

Journal:

Geologiska Foereningan i Stockholm Foerhandlingar

Year:

1912

Language:

english

File:

PDF, 1.41 MB

english, 1912

4

Zur Kenntnis der monoklinen Ca-armen Amphibole (Grünerit-Cummingtonit-Reihe)

Journal:

Geologiska Foereningan i Stockholm Foerhandlingar

Year:

1924

Language:

english

File:

PDF, 763 KB

english, 1924

5

Computer fitting of Voigt profiles to Raman lines

Journal:

Journal of Raman Spectroscopy

Year:

1973

Language:

english

File:

PDF, 899 KB

english, 1973

6

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

Year:

1990

Language:

english

File:

PDF, 670 KB

english, 1990

7

Inclusion of non-bonded interactions in calculations of vibrational frequencies

Tom Sundius, Kjeld Rasmussen

Journal:

Journal of Molecular Structure

Year:

1980

Language:

english

File:

PDF, 298 KB

english, 1980

8

Vibrational analysis of crystalline triglycine

T. Sundius, J. Bandekar, S. Krimm

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 1.37 MB

english, 1989

9

Molvib - A flexible program for force field calculations

Journal:

Journal of Molecular Structure

Year:

1990

Language:

english

File:

PDF, 345 KB

english, 1990

10

Normal coordinate analysis of the vibrational spectra of stannatranes

I.S. Ignatyev, K. Schenzel, T. Sundius

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1992

Language:

english

File:

PDF, 308 KB

english, 1992

11

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

Year:

2005

Language:

english

File:

PDF, 185 KB

english, 2005

12

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

Year:

2007

Language:

english

File:

PDF, 144 KB

english, 2007

13

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

Igor S. Ignatyev, Tom Sundius

Journal:

Journal of Organometallic Chemistry

Year:

2008

Language:

english

File:

PDF, 391 KB

english, 2008

14

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

Year:

2004

Language:

english

File:

PDF, 249 KB

english, 2004

15

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

Year:

2004

Language:

english

File:

PDF, 134 KB

english, 2004

16

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

Year:

2005

Language:

english

File:

PDF, 108 KB

english, 2005

17

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

Year:

2005

Language:

english

File:

PDF, 167 KB

english, 2005

18

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

Year:

2007

Language:

english

File:

PDF, 257 KB

english, 2007

19

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

Year:

2009

Language:

english

File:

PDF, 299 KB

english, 2009

20

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

Year:

2010

Language:

english

File:

PDF, 424 KB

english, 2010

21

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

Year:

2008

Language:

english

File:

PDF, 350 KB

english, 2008

22

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

Igor S. Ignatyev, Tom Sundius

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 291 KB

english, 2000

23

Molecular mechanics potential energy functions from vibrational spectroscopy and quantum chemistry

B. Mannfors, L.-O. Pietilä, K. Palmö, T. Sundius, S. Krimm

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 677 KB

english, 1997

24

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

Igor S., Tom Sundius

Journal:

Journal of Molecular Structure

Year:

1999

Language:

english

File:

PDF, 107 KB

english, 1999

25

Raman line shape analysis by numerical convolution

Journal:

Journal of Molecular Structure

Year:

1988

Language:

english

File:

PDF, 145 KB

english, 1988

26

Spectroscopically determined force fields for macromolecules. Part 3. Alkene chains

B. Mannfors, T. Sundius, K. Palmo, L.-O. Pietila, S. Krimm

Journal:

Journal of Molecular Structure

Year:

2000

Language:

english

File:

PDF, 236 KB

english, 2000

27

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

Year:

2002

Language:

english

File:

PDF, 237 KB

english, 2002

28

Scaling of ab initio force fields by MOLVIB

Journal:

Vibrational Spectroscopy

Year:

2002

Language:

english

File:

PDF, 87 KB

english, 2002

29

Finding the resources for summer learning programs

M. Jane Sundius

Journal:

New Directions for Youth Development

Year:

2007

Language:

english

File:

PDF, 114 KB

english, 2007

30

Über die Eigenschaften von α- und β-Dicalciumsilikat und die Dicalciumsilikate des Portlandzementklinkers

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

1933

Language:

german

File:

PDF, 797 KB

german, 1933

31

Der Staubinhalt einer Asbestosislunge und die Beschaffenheit der sogenannten Asbestosiskörperchen

N. Sundius, A. Bygdén

Journal:

International Archives of Occupational and Environmental Health

Year:

1937

Language:

german

File:

PDF, 4.59 MB

german, 1937

32

Building Opportunity: Developing City Systems to Expand and Improve After School Programs

Martha A. Holleman, M. Jane Sundius, Eric J. Bruns

Journal:

American Journal of Community Psychology

Year:

2010

Language:

english

File:

PDF, 248 KB

english, 2010

33

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

Journal:

Journal of Molecular Spectroscopy

Year:

1977

Language:

english

File:

PDF, 576 KB

english, 1977

34

Molecular torsion: Comparison of harmonic oscillator and free rotor bases

Journal:

Journal of Molecular Spectroscopy

Year:

1979

Language:

english

File:

PDF, 1.28 MB

english, 1979

35

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

Journal:

Journal of Molecular Spectroscopy

Year:

1980

Language:

english

File:

PDF, 829 KB

english, 1980

36

Computer analysis of a spectrometer slit function

T. Sundius, S. Ronkainen

Journal:

Journal of Molecular Structure

Year:

1986

Language:

english

File:

PDF, 217 KB

english, 1986

37

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

Year:

2007

Language:

english

File:

PDF, 221 KB

english, 2007

38

Vibrational spectra and structure of methoxysilanes and products of their hydrolysis

I.S. Ignatyev, M. Montejo, F. Partal Ureña, T. Sundius, J.J. López González

Journal:

Vibrational Spectroscopy

Year:

2006

Language:

english

File:

PDF, 256 KB

english, 2006

39

Über die Mischungslücken zwischen Anthophyllit—Gedrit, Cummingtonit—Grünerit und Tremolit-Aktinolith

Journal:

Zeitschrift für Kristallographie, Mineralogie und Petrographie

Year:

1933

Language:

german

File:

PDF, 1008 KB

german, 1933

40

IX. Über die Karbonate der mittelschwedischen manganreichen Skarn-Karbonaterze

Journal:

Zeitschrift für Kristallographie, Mineralogie und Petrographie

Year:

1925

Language:

german

File:

PDF, 995 KB

german, 1925

41

Vibrational spectra of hexafluorodisiloxane and internal rotation around the SiO bond. An ab initio study

I.S. Ignatyev, T.R. Sundius

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 600 KB

english, 1995

42

A Urey-Bradley force field for 2-chloropropane

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1976

Language:

english

File:

PDF, 499 KB

english, 1976

43

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

Year:

2012

Language:

english

File:

PDF, 330 KB

english, 2012

44

Responsibility of the Radio Engineer to the Engineering Profession

Journal:

Proceedings of the IRE

Year:

1945

Language:

english

File:

PDF, 249 KB

english, 1945

45

Energy metabolism and ATP turnover time during the cell cycle of Ehrlich ascites tumour cells

Sven Skog, Bernhard Tribukait, Gudrun Sundius

Journal:

Experimental Cell Research

Year:

1982

Language:

english

File:

PDF, 526 KB

english, 1982

46

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

Year:

2004

Language:

english

File:

PDF, 891 KB

english, 2004

47

Empirical force field calculations on methylammonium chloride and its deuterated derivatives

T. Sundius, N. Meinander

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1981

Language:

english

File:

PDF, 474 KB

english, 1981

48

Empirical force field calculations on methylammonium chloride and its deuterated derivatives. Part II

N. Meinander, T. Sundius

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 934 KB

english, 1982

49

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

Year:

2012

Language:

english

File:

PDF, 484 KB

english, 2012

50

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

Year:

2012

Language:

english

File:

PDF, 1.10 MB

english, 2012

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