Selected publications

advertisement

Selected publications

1.

A.E. Shchavlev, A.N. Pankratov, V. Enchev

Journal of Physical Chemistry A 111 ( 2007 ) 7112-7123 ”Intramolecular hydrogen-bonding interactions in 2-nitrosophenol and nitrosonaphthols: ab initio, DFT and NMR theoretical study”

2.

S. Angelova, V. Enchev, K. Kostova, M. Rogojerov, G. Ivanova

Journal of Physical Chemistry A

– 111 (

2007 ) 9901-9913 “Theoretical and spectroscopic study of 2-substituted indan-1,3-diones: a coherent picture of the tautomeric equilibrium”M.

3.

M. Guillaume, B. Champagne, N. Markova, V. Enchev, F. Castet

Journal of Physical Chemistry A

– 111 (

2007 ) 9914-9923 “Ab initio investigation on the second-order nonlinear responses in keto-enol equilibria of salicylideneanilines”

4.

M. Spasova, I. Asselberghs, T. Verbiest, K. Clays, E. Botek, B. Champagne

Chemical Physics Letters 439 ( 2007 ) 213-218 “Theoretical investigation on bridged triarylamine helicenes: UV/visible and circular dichroism spectra”

5.

D.S. Todorovsky, M.M. Getsova, M.M. Milanova, M. Kakihana, N.L. Petrova, M.G.

Arnaudov, V.G. Enchev

Canadian Journal of Chemistry

– 85 (

2007 ) 547-559 “The chemistry of the processes involved in the production of lanthanide titanates by the polymerized complex method”

6.

V. Enchev, N. Markova, S. Angelova

Chemical Physics Research Journal ( 2007 ) accepted “Prototropic tautomerism in aqueous solution: combined and discrete/SCRF models”

7.

M.M. Getsova, D.S. Todorovsky, V. Enchev, I. Wawer

Chemical Monthly 138 ( 2007 ) 389-401 “Cerium (III or IV) and Cerium (IV) – Titanum (IV) citric complexes prepared in ethylene glycol medium”

8.

N. Petrova, D. Todorovsky, S. Angelova, D. Mehandjiev

Journal of Alloys and Compounds ( 2007 ) in press “Synthesis and characterization of cerium citric and tartaric complexes”

9.

P. D’Antuono, E. Botek, B. Champagne, M. Spassova, P. Denkova

Journal of Chemical Physics 125 (2006) 144309, “Theoretical investigation on

1

NMR chemical shifts of small alkanes and chloroalkane”

H and

13

C

10.

M.P. Stoyanova, S.E. Angelova, K.S. Kosev, P.S. Denkova, V.G. Enchev, M.D. Palamareva,

Tetrahedron Letters 47 (2006) 2119-2123, “Synthesis of trans/cis 4-substituted 3-furyl-2phenethyltetrahydroisoquinolin-1-ones. Conformation of the trans -4-(pyrrolidinylcarbonyl) derivative”

11.

V. Enchev, N. Markova, S. Angelova, Journal of Physical Chemistry A 109 (2005) 8904-

8913, “ Ab initio study of 2,4-substituted azolidines. II. Amino-imino tautomerism of 2amino-thiazolidine-4-one and 4-amino-thiazolidine-2-one in water solution

12.

N. Markova, V. Enchev, I. Timtcheva, Journal of Physical Chemistry A 109 (2005) 1981-

1988, “Oxo-hydroxy tautomerism of 5-fluorouracil: water-assisted proton transfer”

13.

V. Monev, M. Spassova, B. Champagne, International Journal of Quantum Chemistry, 104

(2005) 354-366, “Charge distributions in polyacetylene chains containing a positively charged defect“

14.

M. Spassova, B. Champagne, B. Kirtman, Chemical Physics Letters, 412 (2005) 217-222,

“Large effect of dopant level on second hyperpolarizability of alkali-doped polyacetylene chains”

15.

E. Botek, M. Spassova, B. Champagne, I. Asselberghs, A. Persoons, K. Klays, Chemical

Physics Letters, 412 (2005) 274-279, “Hyper-Rayleigh Scattering of Neutral and Charged

Helicenes”

16.

V. Enchev, I. Abrahams, S. Angelova, G. Ivanova, Journal of Molecular Structure

(THEOCHEM) 719 (2005) 169-175, “Fast intramolecular proton transfer in 2-

(hydroxylaminomethylidene)-indan-1,3-dione”

17.

S. Angelova, V. Enchev, N. Markova, P. Denkova, K. Kostova, Journal of Molecular Structure

(THEOCHEM) 711 (2004) 201-207, “Ab initio study of 2,4-substituted azolidines.

I. Tautomerism”

18.

N. Markova, V. Enchev, Journal of Molecular Structure (THEOCHEM) 673 (2004) 195-205,

“Water-assisted proton transfer in formamide, thioformamide and selenoformamide”

19.

M. Spassova, V. Enchev, Chemical Physics 298 (2004) 29-36, “Ab initio investigation of the structure and nonlinear optical properties of five-membered heterocycles containing sulfur”

20.

V. Enchev, G. Ivanova, N. Stoyanov, Journal of Molecular Structure (THEOCHEM) 640

(2003) 149–162, “Tautomeric and conformational equilibrium of 2-nitrosophenol and 9,10phenanthrenequinone monooxime: ab initio and NMR study”

21.

V. Enchev, G. Ivanova, G. Pavlovic, M. Rogojerov, A. Ahmedova, M. Mitewa, Journal of

Molecular Structure 654 (2003) 11-20, “Reaction of 2-acetyl-indane-1,3-dione with aniline –

Schiff base or enamine?”

22.

B. Champagne , M. Spassova, J.-B. Jadin, B. Kirtman , Journal of Chemical Physics 116

(2002) 3935-3946, Ab initio Investigation of Doping-enhanced Electronic and Vibrational

Second Hyperpolarizability of Polyacetylene Chains

23.

D. Kushev, G. Gorneva, V. Enchev, E. Naydenova, J. Popova, S. Taxirov, L. Maneva, K.

Grancharov, N. Spassovska, Journal of Inorganic Biochemistry 89 (2002) 203-211,

Synthesis, cytotoxicity, antibacterial and antitumor activity of Platinum(II) complexes of 3amino-cyclohexanespiro-5-hydantoine

24.

A. Ahmedova, V. Mantareva, V. Enchev, M. Mitewa, International Journal of Cosmetic

Science 24 (2002) 103-110, 2-Acetylindan-1,3-dione and its Cu

2

and Zn

2+

complexes as promising sunscreen agents

25.

G. Ivanova, I. Abrahams, V. Enchev, Journal of Molecular Structure 608 (2002) 193-200,

Structure of the symmetric monooxime of 1,2,3-indantrione in gas, solution and solid state

26.

V. Enchev, A. Ahmedova, G. Ivanova, I. Wawer, N. Stoyanov, M. Mitewa, Journal of

Molecular Structure 595 (2001) 67-76, Quantum chemical and spectroscopic study of 2acetylindan-1,3-dione complexes with metal(II) ions

27.

G. Ivanova, V. Enchev, Chemical Physics 264 (2001) 235-244, Does tautomeric equilibrium exist in ortho -nitrosonaphthols?

28.

V. Monev, Ann. Univ. Sofia Fac. Chim.

91 (2001) 69-84, Can density functional theory provide reliable molecular hyperpolarizabilities? Part I.

29.

V. Monev, Ann. Univ. Sofia Fac. Chim . 91 (2001) 85-102, Can density functional theory provide reliable molecular hyperpolarizabilities? Part II.

30.

M. Spassova, Ts. Kolev, I. Kanev, D. Jacquemin, B. Champagne, Journal of Molecular

Structure (THEOCHEM) , 528 (2000) 151-159, Structure and nonlinear electrical properties of squaric acid derivatives: a theoretical study of the conformation and deprotonation effects

31.

M. Spassova, V. Monev, I. Kanev, B. Champagne, D. Mosley, J.-M. André, A.Hernandez-

Laguna et al.(eds), Quantum Systems in Chemistry and Physics, Vol.1: Basic Problems and

Model Systems, (2000) 101-125, Ab initio Sum Over States/CI singles static and dynamic

(hyper)polarizabilities of small molecules

32.

V. Enchev, A. Ugrinov, G.D. Neykov, Journal of Molecular Structure (THEOCHEM) 530

(2000) 223-235, Intramolecular proton transfer reactions in internally hydrogen-bonded Schiff bases: Ab initio and semiempirical study

33.

V. Monev, Molecular Engineering 8 (1999) 217, Density functional theory calculations of molecular hyperpolarizabilities

34.

V. Enchev, Sn. Bakalova, G. Ivanova, N. Stoyanov, Chemical Physics Letters 314 (1999)

234-238, Excited state intramolecular proton transfer in 2-acetylindan-1,3-dione

35.

V. Enchev, N. Stoyanov, V. Mateva, J. Popova, M. Kashchieva, B. Aleksiev, M. Mitewa,

Structural Chemistry 10 (1999) 381-385, Copper (II) complexes of spirohydantoins.

Synthesis, quantum-chemical and spectroscopic study

36.

V. Enchev, G. Ivanova, A. Ugrinov, G.D. Neykov, Journal of Molecular Structure 508

(1999) 149-161, Tautomeric and conformational equilibria of acenaphtenedionemonooxime

37.

B. Champagne, D. Mosley, J.-M. André, M. Spassova, V. Monev, I. Kanev, C. R. Acad. Bulg.

Sci ., 50(6) (1997) 79-82, Ab initio Polarizability and first hyperpolarizability of a push-pull polyene in the Sum-Over-States CI singles scheme

38.

V. Enchev, International Journal of Quantum Chemistry 57 (1996) 721-728, Tautomerism in

2,2’-bipyridyl-3,3’-diol

39.

Z. Smedarchina, V. Enchev, L. Lavtchieva, Journal of Physical Chemistry 98 (1994) 4218-

4229, Theoretical study of intramolecular proton transfer in solution: application to the photoenolization of 5,8-dimethyl-1-tetralone

40.

V. Enchev, Indian Journal of Chemistry B 33 (1994) 336-343, Tautomerism and phototautomerism of 2-(2’-hydroxyphenyl)benzoxazole and 2-(2’-hydroxyphenyl) benzthiazole

Download