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1

Can Diels-Alder Reactions Lead to trans -Fused Products? A Computational Study of the Competitive [4+2] and [2+4] Cycloaddition of Dienes to α-Aryl-Substituted Cyclohexenones

Bakalova, Snezhana M., Santos, A. Gil

Journal:

European Journal of Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 1.10 MB

english, 2013

2

An Alternative Mechanism for Diels–Alder Reactions of Evans Auxiliary Derivatives

Snezhana M. Bakalova, Filipe J. S. Duarte, Miglena K. Georgieva, Eurico J. Cabrita, A. Gil Santos

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 660 KB

english, 2009

3

A Theoretical Study of the Stereoselectivities of the Diels–Alder Addition of Cyclopentadiene to Ethyl-(S)-lactyl Acrylate Catalyzed by Aluminium Chloride

Snezhana M. Bakalova, A. Gil Santos

Journal:

European Journal of Organic Chemistry

Year:

2006

Language:

english

File:

PDF, 328 KB

english, 2006

4

Synthetic Potentials of Heptamethine Merocyanine Dyes Containing an Active Chlorine Atom: Reactivity towards Nucleophiles

Tzveta Gospodova, Jivka Rashkova, Diana Ivanova, Lilia Viteva, Christine Duprat, Marie-Rose Mazières, Snezhana Bakalova, Jose Kaneti

Journal:

European Journal of Organic Chemistry

Year:

2009

Language:

english

File:

PDF, 257 KB

english, 2009

5

2,5-Disubstituted Pyrrolidines as Chiral Auxiliaries in Radical Reactions: A Theoretical Approach

Miglena K. Georgieva, Filipe J. S. Duarte, Snezhana M. Bakalova, A. Gil Santos

Journal:

European Journal of Organic Chemistry

Year:

2010

Language:

english

File:

PDF, 915 KB

english, 2010

6

Application of the model-free approach to low molecular weight systems with hindered internal rotation: cinnamoylmesitylene

Pavletta S. Denkova, Valentin S. Dimitrov, Snezhana M. Bakalova, Jose Kaneti, Krassimir Danov

Journal:

Magnetic Resonance in Chemistry

Year:

2003

Language:

english

File:

PDF, 153 KB

english, 2003

7

Design and photophysical properties of a new molecule with a N–B–N linked chromophore

Snezhana Bakalova, Francisco Mendicuti, Obis Castaño, Jose Kaneti

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 500 KB

english, 2009

8

Solvent induced shifts of electronic spectra: IV. Computational study on PRODAN fluorescence and implications to the excited state structure

Snezhana M. Bakalova, Jose Kaneti

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2009

Language:

english

File:

PDF, 252 KB

english, 2009

9

Electronic absorption and emission spectra and computational studies of some 2-aryl, 2-styryl, and 2-(4′-aryl)butadienyl quinazolin-4-ones

Snezhana M. Bakalova, A. Gil Santos, Iliana Timcheva, Jose Kaneti, Irena L. Filipova, Georgi M. Dobrikov, Vladimir D. Dimitrov

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 209 KB

english, 2004

10

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

Venelin Enchev, Snezhana Bakalova, Galya Ivanova, Neyko Stoyanov

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 109 KB

english, 1999

11

Computational probes into the conceptual basis of silver ion chromatography: I. Silver(I) ion complexes of unsaturated fatty acids and esters

Boryana Damyanova, Svetlana Momtchilova, Snezhana Bakalova, Han Zuilhof, William W Christie, Jose Kaneti

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 224 KB

english, 2002

12

The ring closure of ethylene phosphites is a new P(III)-insertion reaction. A computational study

Jose Kaneti, Snezhana M Bakalova, Minh Tho Nguyen

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 468 KB

english, 2003

13

Semi-empirical AM1 calculation of the solvent effect on the fluorescence spectra of some dihydroquinolinones

Snezhana Bakalova, Jose Kaneti

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2000

Language:

english

File:

PDF, 106 KB

english, 2000

14

Lewis Acid Catalyzed Reactions of Chiral Imidazolidinones and Oxazolidinones: Insights on the Role of the Catalyst

Duarte, Filipe J. S., Bakalova, Snezhana M., Cabrita, Eurico J., Gil Santos, A.

Journal:

Journal of Organic Chemistry

Year:

2011

Language:

english

File:

PDF, 2.77 MB

english, 2011

15

Origins of Stereoselectivity in the Diels−Alder Addition of Chiral Hydroxyalkyl Vinyl Ketones to Cyclopentadiene: A Quantitative Computational Study †

Bakalova, Snezhana M., Kaneti, Jose

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.08 MB

english, 2008

16

Schiff Base Addition to Cyclic Dicarboxylic Anhydrides: An Unusual Concerted Reaction. An MO and DFT Theoretical Study

Kaneti, Jose, Bakalova, Snezhana M., Pojarlieff, Ivan G.

Journal:

Journal of Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 106 KB

english, 2003

17

Theoretical Study of a Model for RNA Solvolysis Catalyzed by Large Ribozymes

Bakalova, Snezhana, Siebrand, Willem, Fernández-Ramos, Antonio, Smedarchina, Zorka, Petkov, D. D.

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 118 KB

english, 2002

18

A Computational Study of the Diels−Alder Reaction of Ethyl- S -lactyl Acrylate and Cyclopentadiene. Origins of Stereoselectivity

Bakalova, Snezhana M., Santos, A. Gil

Journal:

Journal of Organic Chemistry

Year:

2004

Language:

english

File:

PDF, 296 KB

english, 2004

19

Correlated MO Study of the Low-Barrier Intramolecular Motions in Donor−Acceptor Ethenes

Bakalova, Snezhana M., Frutos, Luis Manuel, Kaneti, Jose, Castaño, Obis

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 237 KB

english, 2005

20

Diels–Alder Reactions of Chiral Isoimidium Salts: A Computational Study

Bakalova, Snezhana M., Gil Santos, A.

Journal:

Journal of Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 2.52 MB

english, 2014

21

Solvent Effects on the Fluorescence Properties of Methyldihydroquinolinones

Bakalova, Snezhana

Journal:

Zeitschrift für Naturforschung A

Year:

1991

Language:

english

File:

PDF, 2.48 MB

english, 1991

22

Electronic Spectra and Photochemical Properties of Acetyldihydroquinolinones

Bakalova, Snezhana, Kavrakova, Ivanka

Journal:

Zeitschrift für Naturforschung B

Year:

1992

Language:

english

File:

PDF, 3.30 MB

english, 1992

23

Biological activity of quinazoline analogues and molecular modeling of their interactions with G-quadruplexes

Kaneti, Jose, Georgieva, Milena, Rangelov, Miroslav, Philipova, Irena, Vasileva, Bela, Angelov, Ivan, Staneva, Dessislava, Miloshev, George, Bakalova, Snezhana

Journal:

Biochimica et Biophysica Acta (BBA) - General Subjects

Year:

2021

File:

PDF, 2.18 MB

2021

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