T. Dudev : rechercher sur Z-Library

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1

Creation of intensity theory in vibrational spectroscopy: Key role of ab initio quantum mechanical calculations

Boris Galabov, Todor Dudev, Sonia Ilieva, James R. Durig

Journal:

International Journal of Quantum Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 236 KB

english, 1998

2

Metal Binding Affinity and Selectivity in Metalloproteins: Insights from Computational Studies

Dudev, Todor, Lim, Carmay

Journal:

Annual Review of Biophysics

Année:

2008

Langue:

english

Fichier:

PDF, 670 KB

english, 2008

3

Factors Governing Metal−Ligand Distances and Coordination Geometries of Metal Complexes

Kuppuraj, Gopi, Dudev, Minko, Lim, Carmay

Journal:

Journal of Physical Chemistry B

Année:

2009

Langue:

english

Fichier:

PDF, 206 KB

english, 2009

4

Factors Governing the Metal Coordination Number in Metal Complexes from Cambridge Structural Database Analyses

Dudev, Minko, Wang, Jonathan, Dudev, Todor, Lim, Carmay

Journal:

Journal of Physical Chemistry B

Année:

2006

Langue:

english

Fichier:

PDF, 160 KB

english, 2006

5

Competitive Binding in Magnesium Coordination Chemistry: Water versus Ligands of Biological Interest

Dudev, Todor, Cowan, J. A., Lim, Carmay

Journal:

Journal of the American Chemical Society

Année:

1999

Langue:

english

Fichier:

PDF, 121 KB

english, 1999

6

Monodentate versus Bidentate Carboxylate Binding in Magnesium and Calcium Proteins: What Are the Basic Principles?

Dudev, Todor, Lim, Carmay

Journal:

Journal of Physical Chemistry B

Année:

2004

Langue:

english

Fichier:

PDF, 281 KB

english, 2004

7

Henri de Latouche et George Sand, d'après des documents inedits

A. Dudevant, George Sand, Henri de Latouciie and Paul Bonnefon

Journal:

Revue d'histoire littéraire de la France

Année:

1919

Langue:

french

Fichier:

PDF, 2.46 MB

french, 1919

8

Preferred Hydrogen-Bonding Partners of Cysteine: Implications for Regulating Cys Functions

Mazmanian, Karine, Sargsyan, Karen, Grauffel, Cedric, Dudev, Todor, Lim, Carmay

Journal:

Journal of Physical Chemistry B

Année:

2016

Langue:

english

Fichier:

PDF, 1.27 MB

english, 2016

9

Competition Between Li+ and Na+ in Sodium Transporters and Receptors: Which Na+-Binding Sites are “Therapeutic” Li+ Targets?

Dudev, Todor, Mazmanian, Karine, Lim, Carmay

Journal:

Chemical Science

Année:

2018

Langue:

english

Fichier:

PDF, 1.59 MB

english, 2018

10

Predicted Raman Intensities of CH3CCH, CH3CCD, CD3CCH, CD3CCD and 12CH313C13CH

Journal:

Journal of Raman Spectroscopy

Année:

1997

Langue:

english

Fichier:

PDF, 317 KB

english, 1997

11

ChemInform Abstract: Design, Synthesis, and SAR of Novel Carbapenem Antibiotics with High Stability to Xanthomonas maltophilia Oxyiminocephalosporinase Type II (CXase-II).

Gholam H. Hakimelahi, Ali A. Moosavi-Movahedi, Shwu-Chen Tsay, Fu-Yuan Tsai, Jon D. Wright, Todor Dudev, Shahram Hakimelahi, Carmay Lim

Journal:

Année:

2001

Langue:

english

Fichier:

PDF, 39 KB

english, 2001

12

Principles Governing Mg, Ca, and Zn Binding and Selectivity in Proteins

Todor Dudev, Carmay Lim

Journal:

Année:

2003

Fichier:

PDF, 55 KB

2003

13

Rotational contributions to polarizability derivatives from Raman spectra

T. Dudev, B. Galabov

Journal:

Journal of Raman Spectroscopy

Année:

1993

Langue:

english

Fichier:

PDF, 366 KB

english, 1993

14

Relationship between atomic polarizability tensors and valence optical theories of Raman intensities

T. Dudev, B. Galabov

Journal:

Journal of Raman Spectroscopy

Année:

1993

Langue:

english

Fichier:

PDF, 477 KB

english, 1993

15

Predicted infrared intensities of diacetylene and 1,3-pentadiyne

B. Galabov, T. Dudev, B. Nikolova, W.J. Orville-Thomas

Journal:

Journal of Molecular Spectroscopy

Année:

1986

Langue:

english

Fichier:

PDF, 487 KB

english, 1986

16

Interpretation and prediction of vibrational intensities in infrared spectra: fluorinated methanes

B. Galabov, T. Dudev, W.J. Orville-Thomas

Journal:

Journal of Molecular Structure

Année:

1986

Langue:

english

Fichier:

PDF, 687 KB

english, 1986

17

Computations in vibrational intensity spectroscopy

B. Galabov, T. Dudev, J.R. Durig, W.J. Orville-Thomas

Journal:

Journal of Molecular Structure

Année:

1988

Langue:

english

Fichier:

PDF, 907 KB

english, 1988

18

Infrared and NMR study of some 2-styrylindolium dyes

S. Metsov, T. Dudev, V. Koleva

Journal:

Journal of Molecular Structure

Année:

1995

Langue:

english

Fichier:

PDF, 385 KB

english, 1995

19

Effective bond charges from infrared intensities: ab initio calculations

S. Ilieva, M. Krusteva, T. Dudev, B. Galabov, T. Gounev, J.R. Durig

Journal:

Journal of Molecular Structure

Année:

1996

Langue:

english

Fichier:

PDF, 327 KB

english, 1996

20

Relationship between infrared intensity theories: Electro-optical parameters and bond polar parameters

T. Dudev, B. Galabov

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Année:

1992

Langue:

english

Fichier:

PDF, 492 KB

english, 1992

21

Interpretation of vibrational absorption intensities: Effective bond charges from rotation free atomic polar tensors

Boris Galabov, Todor Dudev, Sonya Ilieva

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Année:

1993

Langue:

english

Fichier:

PDF, 608 KB

english, 1993

22

Effective bond charges from infrared intensities in CH4, SiH4, GeH4 and SnH4

S Ilieva, B Galabov, T Dudev, T.K Gounev, J.R Durig

Journal:

Journal of Molecular Structure

Année:

2001

Langue:

english

Fichier:

PDF, 88 KB

english, 2001

23

1H and 13C NMR study and AM1 calculations of some azobenzenes and N-benzylideneanilines: effect of substituents on the molecular planarity

V Koleva, T Dudev, I Wawer

Journal:

Journal of Molecular Structure

Année:

1997

Langue:

english

Fichier:

PDF, 202 KB

english, 1997

24

Interpretation of carbonyl stretching band intensities in the infrared spectra: an ab initio MO study

Boris Galabov, Petia Bobadova-Parvanova, Todor Dudev

Journal:

Journal of Molecular Structure

Année:

1997

Langue:

english

Fichier:

PDF, 183 KB

english, 1997

25

Effective bond charges from infrared and Raman intensities

B. Galabov, T. Dudev, S. Ilieva

Journal:

Journal of Molecular Structure

Année:

1997

Langue:

english

Fichier:

PDF, 462 KB

english, 1997

26

N–H stretching frequencies and the conformation of substituted ureas: an ab initio MO study

B Galabov, S Ilieva, B Hadjieva, T Dudev

Journal:

Journal of Molecular Structure

Année:

1997

Langue:

english

Fichier:

PDF, 107 KB

english, 1997

27

Molecular geometry, vibrational frequencies, infrared intensities and CN effective bond charges in a series of simple nitrile compounds: HF/6–31+G(d,p) molecular orbital study

Todor Dudev, Petia Bobadova-Parvanova, Daniela Pencheva, Boris Galabov

Journal:

Journal of Molecular Structure

Année:

1997

Langue:

english

Fichier:

PDF, 531 KB

english, 1997

28

Interpretation and prediction of vibrational absorption intensities: methylethyl ether and diethyl ether

B. Galabov, S. Ilieva, T. Dudev, H.V. Phan, J.R. Durig

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Année:

1993

Langue:

english

Fichier:

PDF, 596 KB

english, 1993

29

Raman spectroscopy of carbon-containing particles

R. Escribano, J.J. Sloan, N. Siddique, N. Sze, T. Dudev

Journal:

Vibrational Spectroscopy

Année:

2001

Langue:

english

Fichier:

PDF, 281 KB

english, 2001

30

Ab initio calculations of Raman intensity parameters and geometry of polyynes and polyynenitriles

Todor Dudev, Boris Galabov

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

1997

Langue:

english

Fichier:

PDF, 556 KB

english, 1997

31

Raman and infrared study of amorphous SeTe/CdSe superlattices

R. Ionov, T. Dudev

Journal:

Applied Physics A: Materials Science & Processing

Année:

1992

Langue:

english

Fichier:

PDF, 342 KB

english, 1992

32

Infrared intensities. an mo study of the transferability of bond polar parameters

B. Galabov, T. Dudev, C. Lozanova, W.J. Orville-Thomas

Journal:

Journal of Molecular Structure

Année:

1985

Langue:

english

Fichier:

PDF, 436 KB

english, 1985

33

Interpretation of infrared intensities of some simple hydrides

T. Dudev, B. Galabov, W.J. Orville-Thomas

Journal:

Journal of Molecular Structure

Année:

1987

Langue:

english

Fichier:

PDF, 342 KB

english, 1987

34

Infrared spectra of Langmuir—Blodgett multilayers of docosylammonium phosphate

Angelina Angelova, Jordan G. Petrov, Todor Dudev, Boris Galabov

Journal:

Colloids and Surfaces

Année:

1991

Langue:

english

Fichier:

PDF, 1.38 MB

english, 1991

35

Effective bond charges from experimental IR intensities

Boris Galabov, Todor Dudev, Sonya Ilieva

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

1995

Langue:

english

Fichier:

PDF, 626 KB

english, 1995

36

Interpretation of Raman intensities: effective induced bond charges from atomic polarizability tensors

Todor Dudev, Boris Galabov

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

1996

Langue:

english

Fichier:

PDF, 681 KB

english, 1996

37

Vibrational intensity analysis of 1,2-dichloroethane and 1-chloropropane

G. Georgieva, T. Dudev, B. Galabov, J.R. Durig

Journal:

Vibrational Spectroscopy

Année:

1992

Langue:

english

Fichier:

PDF, 891 KB

english, 1992

38

The effect of metal binding on the characteristic infrared band intensities of ligands of biological interest

Todor Dudev, Carmay Lim

Journal:

Journal of Molecular Structure

Année:

2012

Langue:

english

Fichier:

PDF, 416 KB

english, 2012

39

Discovering structural motifs using a structural alphabet: Application to magnesium-binding sites

Minko Dudev, Carmay Lim

Journal:

BMC Bioinformatics

Année:

2007

Langue:

english

Fichier:

PDF, 909 KB

english, 2007

40

Factors Controlling the Mechanism of NAD + Non-Redox Reactions

Dudev, Todor, Lim, Carmay

Journal:

Journal of the American Chemical Society

Année:

2010

Langue:

english

Fichier:

PDF, 4.81 MB

english, 2010

41

A Combined Experimental and Theoretical Study of Divalent Metal Ion Selectivity and Function in Proteins: Application to E. coli Ribonuclease H1

Babu, C. Satheesan, Dudev, Todor, Casareno, R., Cowan, J. A., Lim, Carmay

Journal:

Journal of the American Chemical Society

Année:

2003

Langue:

english

Fichier:

PDF, 473 KB

english, 2003

42

Effect of Carboxylate-Binding Mode on Metal Binding/Selectivity and Function in Proteins

Dudev, Todor, Lim, Carmay

Journal:

Accounts of Chemical Research

Année:

2007

Langue:

english

Fichier:

PDF, 487 KB

english, 2007

43

Ring Strain Energies from ab Initio Calculations

Dudev, Todor, Lim, Carmay

Journal:

Journal of the American Chemical Society

Année:

1998

Langue:

english

Fichier:

PDF, 285 KB

english, 1998

44

Factors Governing the Na + vs K + Selectivity in Sodium Ion Channels

Dudev, Todor, Lim, Carmay

Journal:

Journal of the American Chemical Society

Année:

2010

Langue:

english

Fichier:

PDF, 539 KB

english, 2010

45

Principles Governing Mg, Ca, and Zn Binding and Selectivity in Proteins

Dudev, Todor, Lim, Carmay

Journal:

Chemical Reviews

Année:

2003

Langue:

english

Fichier:

PDF, 372 KB

english, 2003

46

Tetrahedral vs Octahedral Zinc Complexes with Ligands of Biological Interest: A DFT/CDM Study

Dudev, Todor, Lim, Carmay

Journal:

Journal of the American Chemical Society

Année:

2000

Langue:

english

Fichier:

PDF, 97 KB

english, 2000

47

Competition among Metal Ions for Protein Binding Sites: Determinants of Metal Ion Selectivity in Proteins

Dudev, Todor, Lim, Carmay

Journal:

Chemical Reviews

Année:

2014

Langue:

english

Fichier:

PDF, 5.03 MB

english, 2014

48

First−Second Shell Interactions in Metal Binding Sites in Proteins: A PDB Survey and DFT/CDM Calculations

Dudev, Todor, Lin,, Dudev, Minko, Lim, Carmay

Journal:

Journal of the American Chemical Society

Année:

2003

Langue:

english

Fichier:

PDF, 371 KB

english, 2003

49

A DFT/CDM Study of Metal−Carboxylate Interactions in Metalloproteins: Factors Governing the Maximum Number of Metal-Bound Carboxylates

Dudev, Todor, Lim, Carmay

Journal:

Journal of the American Chemical Society

Année:

2006

Langue:

english

Fichier:

PDF, 383 KB

english, 2006

50

Factors Governing the Protonation State of Cysteines in Proteins: An Ab Initio/CDM Study

Dudev, Todor, Lim, Carmay

Journal:

Journal of the American Chemical Society

Année:

2002

Langue:

english

Fichier:

PDF, 96 KB

english, 2002