Bulgarian Academy of Sciences
Publications
Institute of Organic Chemistry with Centre of Phytochemistry

I. Original Papers

1. "Effect of Higher Excited Configurations by Calculating Charge Densities in Ground and Excited States of the Acrolein Molecule," N. N. Tyutyulkov, G. Hiebaum and P. M. Ivanov, C. R. Acad. Bulg. Sci., 24 (1971) 773-776.
2. "Intramolecular Interactions in Dibenzyl," P. M. Ivanov, I. G. Pojarlieff and N. N. Tyutyulkov, Tetrahedron Letters, (1976) 775-778.
3. "Conformational Energy Analysis of Substituted Diphenylethanes. Part I. Empirical Force-Field and CNDO/2 Calculations on Dibenzyl," P. M. Ivanov, I. G. Pojarlieff and N. N. Tyutyulkov, Commun. Dept. Chem. Bulg. Acad. Sci., 9 (1976) 516-529.
4. "Conformational Energy Analysis of Substituted Diphenylethanes. Part. II. Empirical Energy Calculations on Stilbene Dihalogenides," P. M. Ivanov and I. G. Pojarlieff, J. Mol. Struct., 38 (1977) 259-267.
5. "Conformational Energy Analysis of Substituted Diphenylethanes. Part III. Intramolecular Interactions and Stable Conformations of the meso- and RS- Isomers of 1,2-Diphenyl-1,2-Ethanediol and 1,2-Diphenylethylene-diamine," P. M. Ivanov and I. G. Pojarlieff, J. Mol. Struct., 38 (1977) 269-271.
6. "Conformational Energy Analysis of Substituted Diphenylethanes. Part IV. Empirical Energy Calculations on Threo- and Erythro- 2-Amino-1,2-diphenylethanol," P. M. Ivanov and I. G. Pojarlieff, C. R. Acad. Bulg. Sci., 31 (1978) 201-204.
7. "Conformational Energy Analysis of Substituted Diphenylethanes. Part V. CNDO/2 Calculations of Some Dibenzyl Derivatives," P. M. Ivanov, Commun. Dept. Chem. Bulg. Acad. Sci., 11 (1978) 249-257.
8. "Conformational Energy Analysis of Substituted Diphenylethanes. Part VI. Calculations of the Solvent Dependence of the Conformational Equilibria in Stilbene Dihalogenides. Intramolecular Interactions in the PCILO Framework", P. M. Ivanov and I. G. Pojarlieff, J. Mol. Struct., 64 (1980) 67-73.
9. "Conformational Energy Analysis of Substituted Diphenylethanes. Part VII. Molecular Mechanics-Extended Huckel MO Conformational Analysis of Threo- and Erythro-1,2-Diphenyl-1-propanol," P. M. Ivanov, I. G. Pojarlieff and G. Olbrich, J. Mol. Struct. (Theochem), 88 (1982) 391-394.
10. "Conformational Energy Analysis of Substituted Diphenylethanes. Part IX. An NMR and EFF Study of the Diastereoisomeric (-)-Menthyl Esters of 3-Amino- and 3-Hydroxy-2,3-Diphenylpropanoic Acids", N. D. Berova, P. M. Ivanov and I. G. Pojarlieff, Commun. Dept. Chem. Bulg. Acad. Sci., 15 (1982) 228-235.
11. "Infrared Spectral Investigation of Steric Effects on Hydrogen Bond Formation in Esters of 3-Benzoylaminopropanoic Acids. II. Empirical Energy Calculations," P. M. Ivanov, M. G. Arnaudov and A. A. Dobrev, J. Mol. Struct., (Theochem), 88 (1982) 235-242.
12. "Molecular Mechanics Studies on Isogermacrone," P. M. Ivanov, N. V. Bozhkova and A. S. Orahovats, J. Mol. Struct. (Theochem), 86 (1982) 393-395.
13. "Conformational Energy Analysis of Substituted Diphenylethanes. Part VIII. Conformations of Some Hydroxy and Amino 1-Monosubstituted and 1,3-Disubstituted 1,2-Diphenylethanes," I. G. Pojarlieff, P. M. Ivanov and N. D. Berova, J. Mol. Struct. (Theochem), 91 (1983) 283-288.
14. "Conformational Analysis of Acetyl-L-Phenylalanine p-Acetyl and p-Valeryl Anilides," D. D. Petkov, P. M. Ivanov and I. B. Stoineva, Biopolymers, 22 (1983) 1489-1498.
15. "Further Examples of Enhanced Lengthening of Strained Carbon-Carbon Bonds by Orbital Interactions," E. Osawa, P. M. Ivanov and C. Jaime, J. Org. Chem., 48 (1983) 3990-3993.
16. "Remarks on the Analysis of Torsional Energy Surfaces of Cycloheptane and Cyclooctane by Molecular Mechanics," P. M. Ivanov and E. Osawa, J. Comput. Chem., 5 (1984) 307-313.
17. "Quantitative Evaluation of the gem-Dimethyl Effect on the Succinic Acid/Anhydride Equilibrium. Conformations of the Acids and the Anhydrides by Empirical Force Field Calculations," P. M. Ivanov and I. G. Pojarlieff, J. Chem. Soc., Perkin Trans. 2, (1984) 245-250.
18. "Stereochemistry of Some Diastereoisomeric 2-Substituted Borneols," B. Blagoev, N. Berova, P. Ivanov, V. Vasilev and E. Osawa, J. Mol. Struct., 116 (1984) 189-197.
19. "Conformational Energy Analysis of Substituted Diphenylethanes. Part X. Conformations of Some N-Substituted 3-Amino-2,3-Diphenyl Propanols and 4-Amino-3,4-Diphenyl-2-Methyl-2-Butanols. Emphasis on Non-hydrogen Bonded Conformations," P. M. Ivanov and L. S. Trifonov, J. Mol. Struct. (Theochem), 124 (1985) 239-248.
20. "Computational Analysis of the Nucleophilic Eliminative Ring Fission of Bridgehead Substituted 1,3-Bishomocubyl Acetates," P. M. Ivanov, E. Osawa, A. J. H. Klunder and B. Zwanenburg, Tetrahedron, 40 (1985) 975-977.
21. "Stereochemical Applications of Potential Energy Calculations. Part 4. Revised Cyclopropane Parameters for Molecular Mechanics," P. M. Ivanov, J. Chem. Research (S) 1985, 86-87; (M) 1985, 1173-1193.
22. "Conformational Properties of Permethylcyclohexane as Compared to Cyclohexane: A Force Field Study," O. Ermer, P. M. Ivanov and E. Osawa, J. Comput. Chem., 6 (1985) 401-429.
23. "Stereochemical Applications of Potential Energy Calculations. Part 5. Conformational Studies of Some 1,1,2-Trisubstituted Ethanes by the Molecular Mechanics Method (MM2)," P. M. Ivanov, E. Osawa and S. L. Spassov, J. Mol. Struct. (Theochem), 124 (1985) 325-333.
24. "Conformations of (-)-Menthyl Esters of (+)-(S)- and (-)-(R)- Mandelic Acids," P. M. Ivanov, N. D. Berova and G. Snatzke, International Conference on Circular Dichroism, Sofia 1985, Conference Proceedings, 6 (1985) 362-367.
25. "Conformational Energy Analysis of Substituted Diphenylethanes. Part XI. Molecular Mechanics of Diastereoisomeric 1,4-Disubstituted-2,3-Diphenylbutanes," P. M. Ivanov, E. Osawa and I. G. Pojarlieff, J. Mol. Struct., 144 (1986) 101-108.
26. "Stereochemical Applications of Potential Energy Calculations. Part 6. Molecular Mechanics Study of Conformations of (-)-Menthyl Esters of the Stereoisomeric (S)- and (R)- Mandelic Acids," P. M. Ivanov, J. Mol. Struct., 140 (1986) 359-363.
27. "Stereochemical Applications of Potential Energy Calculations. Part 7. Conformational Studies of Some Substituted Ethanols by the Molecular Mechanics Method (MM2)," P. M. Ivanov and S. L. Spassov, J. Mol. Struct., 145 (1986) 181-184.
28. "Convergence of the Block-Diagonal Newton-Raphson Minimization Procedure in MM2," P. M. Ivanov, Q. C. P. E. Bulletin, 6 (1986) 6-7.
29. "Preparation, Absolute Configuration and Conformation of Some Aryl-2-Pyridylmethanols," S. E. Bojadziev, D. T. Tzankov, P. M. Ivanov and N. D. Berova, Bull. Chem. Soc. Japan, 60 (1987) 2651-2655.
30. "Molecular Mechanics and Quantum-Chemical Studies of Some 1,6-Cyclodecadiene Systems," G. D. Neykov, P. M. Ivanov and A. S. Orahovats, J. Mol. Struct. (Theochem), 153 (1987) 147-158.
31. "Conformational Analysis of Some Substituted Aryl-Pyridyl-methanes," S. Bojadziev, D. Tsankov, P. Ivanov and N. Berova, Commun. Dept. Chem. Bulg. Acad. Sci., 21 (1988) 201-207.
32. "Photochemical Transformations of Isogermacrones," N. Bozhkova, P. Ivanov, G. Neykov, S. Simova, G. Stoev and A. Orahovats, Commun. Dept. Chem. Bulg. Acad. Sci., 21 (1988) 256-266.
33. "Molecular Mechanics of Diastereoisomers with Phenyl Groups on Neighbouring Carbon Atoms," P. M. Ivanov and I. G. Pojarlieff, J. Mol. Struct. (Theochem), 170 (1988) 257-268.
34. "RIRO-MM2 Scheme for Conformational Analysis on the Basis of Empirical Potential Energy Functions," P. M. Ivanov, Q. C. P. E. Bulletin, 9 (1989) 36; J. C. P. E. Newsletter, 1 (1989) 35.
35. "Circular Dichroism of Some 2-(Phenylmethyl)pyridine Derivatives," N. Berova, S. Bojadziev, N. Bresciani-Pahor, P. M. Ivanov, B. Kojic-Protic, R. Rakovska, Z. Ruzic-Toros and G. Snatzke, Helvetica Chimica Acta, 73 (1990) 1853-1860.
36. "Molecular Mechanics (MM) and MM-EHMO Conformational Analysis of the Diastereoisomers of 3-Amino-1,2,3-Triphenyl-1-propyl Chloride," P. M. Ivanov, T. G. Momchilova and I. G. Pojarlieff, J. Comput. Chem., 12 (1991) 427-437.
37. "Computational Test for the Performance of the Improved MM2 Aromatic Force Field," P. M. Ivanov and T. G. Momchilova, J. Mol. Struct. (Theochem), 233 (1991) 115-228.
38. "Stereochemical Studies of Some 12a-Substituted Rotenoid Derivatives," I. Kostova, N. Berova, P. Ivanov and B. Mikhova, Croat. Chem. Acta, 64 (1991) 637-647.
39. "An Empirical Correlation Between the C-13 Chemical Shielding and the Molecular Mechanics Steric Energy," B. P. Mikhova, P. M. Ivanov and S. L. Spassov, J. Mol. Struct., 265 (1992) 225-229.
40. "MM2 Conformational Analysis of Acetyl-L-Phenylalanine p-Acetyl Anilide," P. M. Ivanov and M. I. Ivanova, J. Mol. Struct., 269 (1992) 223-229.
41. "RIRO-MM2. Version 2.0" (P003), P. M. Ivanov, Japan Chem. Program Exchange Newsletter, 5 (4) (1994) 26.
42. "CD. Absolute Configuration of Chiral Phenyl-Phenylamino Methanes," N. Berova, S. Christoskova, P. Ivanov, B. Kurtev, E. Simova and G. Snatzke, Tetrahedron Asymmetry, 3 (1992) 651-660.
43. "MM2 Conformational Analysis of Diastereoisomers with Phenyl Groups on Neighbouring Carbon Atoms and Intramolecular Hydrogen Bonding," T. G. Momchilova and P. M. Ivanov, J. Mol. Struct. (Theochem), 288 (1993) 133-143.
44. "Evaluation of the Commercial Rubber Stabilizers," L. Nenchev, S. Rakovski and P. Ivanov, Oxidation Communications, 26 (1-2) (1993) 104-108.
45. "KESSHOU," E. Osawa, P. M. Ivanov and J. M. Rudzinski, results included in: E. Osawa, "Potential Energy Calculations of Crystals," Chapter 1.1 of Reactivity in Molecular Crystals, Y. Ohashi (Ed.), Kadansha, Tokyo/VCH: Weinheim, 1993, p. 1-9.
46. "MM2 Conformational Analysis of Diastereoisomeric Ethyl and Menthyl Esters of 3-Substituted 2,3-Diphenylpropanoic Acids," T. G. Momchilova and P. M. Ivanov, J. Mol. Struct., 326 (1994) 261-265.
47. "Conformational Analysis of Tetraphenyl Substituted Pyrrolidines," P. M. Ivanov, B. P. Mikhova and S. L. Spassov, J. Mol. Struct. 377 (1996) 19-26.
48. "Molecular Dynamics Simulations of the Inclusion Process of 1-Bromoadamantane with β-Cyclodextrin," P. M. Ivanov and C. Jaime, Anales de Quimica, International Edition, 92 (1996) 13-16.
49. "Modelling of the Inclusion Process of α-, β-, and γ-Cyclodextrins with 1-Bromoadamantane. A Comparative Molecular Mechanics Study with Accounting for the Solvent," P. M. Ivanov and C. Jaime, J. Mol. Struct., 377 (1996) 137-147.
50. "Computational Study of the Endohedral Isomers of C60H2," E. Cervello, P. Ivanov and C. Jaime, Fullerene Science and Technology, 4(1) (1996) 67-86.
51. "Computational Study of the Effect of Configuration and the Degree of Substitution at N in N>O and O>N Acyl Migration in Diastereoisomers of 3-Amino-1,2,3-triphenylpropanol," P. M. Ivanov and I. G. Pojarlieff, Anales de Quimica, International Edition, 92 (1996) 171-176.
52. "Experimental (NMR) and Computational (MD) Studies on the Inclusion Complexes of 1-Bromoadamantane with α-, β-, and γ-Cyclodextrin," P. M. Ivanov, D. Salvatierra and C. Jaime, J. Org. Chem., 61 (1996) 7012-7017.
53. "Computational Study of the Conformations of Diastereoisomeric 3-Acetamido-1,2,3-triphenylpropanols", P. M. Ivanov, J. Mol. Struct., 407 (1997) 117-124.
54. "The Torsional Energy Profile of 1,2-Diphenylethane. An ab Initio Study", P. M. Ivanov, J. Mol. Struct., 415 (1997) 179-186.
55. "Molecular Mechanics Conformational Analysis of Tylosin", P. M. Ivanov, J. Mol. Struct., 440 (1998) 121-130.
56. "Computational Study on the Ring Distortions of 1,4-Dicyanobenzene in the Gas Phase and in the Crystal", P. M. Ivanov, J. Mol. Struct., 440 (1998) 237-246.
57. "BS/KESSHOU (version 1.0): Molecular Mechanics Program for Molecular and Crystal Structure Optimization", E. Osawa, P. M. Ivanov, H. Goto, M. Yamamoto, J. M. Rudzinski and A. Aoki, Japan Chem. Program Exchange Newsletter, Program No. P111 (1999).
58. "An Empirical Correlation Between 13C Chemical Shielding and Computed Relative Stabilities of Diastereoisomers", B. P. Mikhova and P. M. Ivanov, J. Mol. Struct., 522 (2000) 109-116.
59. "Molecular Mechanics (MM3) Study of the Conformations of Methyl Esters and N,N-Dimethylamides of Diastereoisomeric 4-Cyano-3,4 diphenyl-butanoic Acids", P. M. Ivanov, J. Mol. Struct., 553 (2000) 141-149.
60. "Correlated Ab Initio Molecular Orbital (MP3, MP4) and Density Functional (PW91, MPW91) Studies on the Conformations of 1,2-Diphenylethane", N. Kurita and P. M. Ivanov, J. Mol. Struct., 554 (2000) 183-190.
61. "Mg@C72: MNDO/d Evaluation of the Isomeric Composition", Z. Slanina, X. Zhao, X. Grabuleda, M. Ozawa, F. Uhlik, P. Ivanov, K. Kobayashi and Sh. Nagase, J. Mol. Graphics and Modelling, 19 (2001) 252-255.
62. "Molecular Mechanics (MM3) and Semiempirical Molecular Orbital Study of the Conformations of Ethyl Esters of Diastereoisomeric 3-Substituted 4,4,4-Trichloro-2-cyano-butanoic Acids", P. Ivanov, M. Mladenova and C. Jaime, J. Mol. Modeling, 7 (2001) 240-244.
63. "The gem-Dimethyl Effect in Reactions Through Tetrahedral Intermediates: Cyclizations of Some Ethyl 2,3-Disubstituted-5-(p-nitrophenyl) hydantoates", A. H. Koedjikov, P. M. Ivanov and I. G. Pojarlieff, ARKIVOC, 2 (12) (2001) (ms6).
64. "A Computational Test of the Assignment of Configurations of Ethyl Esters of Diastereoisomeric 3-Substituted-4,4,4-Trichloro-2-Cyano-Butanoic Acids", P. M. Ivanov and C. Jaime, University of Plovdiv "Paissii Hilendarski" Bulgaria, Scientific Works, Vol. 30, Book 5, 2001 Chemistry, 19-29.
65. "Molecular Mechanics and Semiempirical Molecular Orbital Study of the Conformations of Esters of 2,3-Substituted 3-Benzoylamino-propanoic Acids" P. Ivanov, T. Momchilova and Z. Slanina, Bulgarian Chemical Communications, 34 (1) (2002) 19-31.
66. "CONFLEX/MM3 Search-Minimization Study of the Conformations of the Macrolide Antibiotic Tylosin", P. M. Ivanov, J. Mol. Struct., 606 (2002) 217-229.
67. "Computational Studies on Pseudorotaxanes by Molecular Dynamics and Free Energy Purturbation Simulations," X. Grabuleda, P. M. Ivanov and C. Jaime, J. Org. Chem. 68 (2003) 1539-1547.
68. "Shuttling Process in [2]-Rotaxanes. Modeling by Molecular Dynamics and Free Energy Perturbation Simulations," X. Grabuleda, P. M. Ivanov and C. Jaime, J. Phys. Chem. B, 107 (2003) 7582-7588.
69. "A large gem-dimethyl effect in the cyclization of ω-phenylhydantoic acids: computational modeling of the gem-dimethyl effect on the acid- or base-catalyzed cyclization of hydantoic acids and esters", P. M. Ivanov, I. G. Pojarlieff, I. B. Blagoeva, C. Jaime, V. T. Angelova and A. H. Koedjikov , J. Phys. Organ. Chem., 17 (2004) 423-430.
70. "α,α,-Bis(trifluoromethyl)-9,10-anthracenedimethanol. Enantioselective Synthesis and Bidentate Complexes with Benzenedimethanols", Carla Estevill, Petko M. Ivanov, Marta Pomares, Marta Sancez-Aris and Albert Virgili, Tetrahedron: Asymmetry, 15 (2004) 1431-1436.
71. "Insights into the Structures of Large-Ring Cyclodextrins from Molecular Dynamics Simulations in Solution", Petko M. Ivanov and Carlos Jaime, J. Phys. Chem. B, 108 (2004) 6261-6274.
72. "Cyclodextrinic Carcerands. I. Would They Form Inclusion Complexes? Computational Study", Kepa K. Burusco, Petko M. Ivanov and Carlos Jaime, , ARKIVOC, (ix) (2005) 287-304.
73. "Molecular Mechanics (CONFLEX/MM3) Search/Minimization Study of the Conformations of Ornoside and Escuside", Martin I. Kotev, Hitoshi Goto and Petko M. Ivanov, J. Mol. Struct., 748 (2005) 9-16.
74. "Molecular Dynamics Study of the Structure and Energetics of Large-Ring Cyclodextrins CD35 and CD40". Petko M. Ivanov, Martin G. Gotsev and Carlos Jaime, Bulg. Chem. Commun., 37 (2005) 380-389.
75. "The Bidentate Complexes of (R,R)- and meso-α,α-bis(trifluoromethyl)-9,10-anthracenedimethanol with cis-1-amino-2-indanol", Carla Estevill, Marta Pomares, Martin Kotev, Petko Ivanov and Albert Virgili, Tetrahedron: Asymmetry, 16 (18)(2006) 2993-2997.
76. "Chelate Effect in Cyclodextrin Dmers: A Computational (MD, MM/PBSA, and MM/GBSA) Study", Ivan Bea, Martin G. Gotsev, Petko M. Ivanov, Carlos Jaime and Peter A. Kollman, J. Org. Chem., 71 (2006) 2056-2063.
77."Structural Dynamics of Some Large-Ring Cyclodextrins (LR-CDs). A Molecular Dynamics Study: Influence of the Force Field", Itziar Maestre, Ivan Bea, Petko M. Ivanov and Carlos Jaime, Theoret. Chem. Acc. 117 (2007) 85-97.
78. "Computational (MM, MD and MD/MM) Study of Bidentate Complexes of (R,R)- and meso-α,α-Bis(trifluoromethyl)-9,10-anthracenedimethanol with cis-1-Amino-2-indanol", Martin I. Kotev, Petko M. Ivanov, Albert Virgilli and Carla Estivill, J. Mol. Struct., 828 (2007) 59-67.
79. "Large-Ring Cyclodextrins. Further Support for the Preferred Conformations of CD26 in Water Solution: Molecular Dynamics Studies on CD26-Derived Conformations of CDn (n = 24, 25, 27, 28, 29, 30)." Martin G. Gotsev and Petko M. Ivanov, Int. J. Quantum Chem., 107 (2007) 1657-1672.
80. "A Molecular Dynamics Study of the Conformational Dynamics and Energetics of Some Large-Ring Cyclodextrins (CDn, n = 24, 25, 26, 27, 28, 29)", Martin G. Gotsev, Petko M. Ivanov and Carlos Jaime, Chirality, 19 (2007) 203-213.
81. "Large-ring Cyclodextrins. A Molecular Dynamics Study of the Conformational Dynamics and Energetics of CD10, CD14 and CD26." Gotsev, M. G.; Ivanov, P. M. ARKIVOC 2007 (xiii) 167-189.
82. "Molecular Mechanics (MM3(π) Conformational Analysis of Molecules Containing Conjugated π-Electron Fragments: Leucomycin-V." Martin I. Kotev and Petko M. Ivanov, Chirality, 20 (3-4) (2008) 400-410.
83. "Autoxidation of a 4-iminoimidazolidin-2-one with a tertiary 5-hydrogen to its 5-hydroxy derivative." V.T. Angelova, N. G. Vassilev, Anne-Sophie Chauvin, A. H. Koedjikov, P. M. Ivanov, I.G. Pojarlieff, ARKIVOC, 2008 (xi) 11.
84. "Molecular Mechanics (MM3(π)) Conformational Analysis of Molecules Containing Conjugated π-Electron Fragments: A Molecular Tweezer." Martin I. Kotev and Petko M. Ivanov, Bulg.Chem.Commun., 40 (2008) 505-511.
85. "Molecular Dynamics Study on the Conformational Flexibility and Energetics in Aqueous Solution of Methylated β-Cyclodextrins." J. Perez-Miron, P.M. Ivanov, C. Jaime, Chirality, 20 (2008) 1127-1133.
86. Molecular Dynamics Study of the Conformational Dynamics and Energetics of Large-Ring Cyclodextrins. Petko M. Ivanov, Science and Supercomputing in Europe Report 2007, Paola Alberigo, Giovanni Erbacci, Francesca Garofalo, Silvia Monfardini, Eds., CINECA Consorzio Interuniversitario, (2007) 181-186.
87. Molecular Dynamics of Large-Ring Cyclodextrins: Principal Component Analysis of the Conformational Interconversions. Martin G. Gotsev, Petko M. Ivanov, J. Phys. Chem. B, 113 (17) (2009) 5752-5759
88. Essential Dynamics Analysis of the Conformational Interconversions of Large-Ring Cyclodextrins. Petko M. Ivanov, Science and Supercomputing in Europe (Report 2008), Pan-European Research Infrastructure on High-Performance Computing for the 21st century Science, Ed.: Silvia Monfardini, CINECA Consorzio Interuniversitario, 2008, 91-97 (ISBN 978-88-86037-22-8).
89. Large-Ring Cyclodextrins with Degree of Polymerization in the Close Vicinity of CD26. Do They Possess CD26-Like Conformations?
Petko M. Ivanov, Science and Supercomputing in Europe (Report 2008), Pan-European Research Infrastructure on High-Performance Computing for the 21st century Science, Ed.: Silvia Monfardini, CINECA Consorzio Interuniversitario, 2008, 99-102 (ISBN 978-88-86037-22-8).
90. Surface Interactions and Self-Assembly of Cyclodextrins with Organic Dyes. B. Ivanova, R.Nikolova, M. Lamshoft, P. Tsanova, I. Petkov, P. Ivanov, M. Spiteller, J. Inclusion Phenomena and Macrocyclic Chemistry, 67 (3-4) (2010) 317-324.
91.Conformations of Some Large-Ring Cyclodextrins Derived from Conformational Search with Molecular Dynamics Simulations and Principal Component Analysis. Petko M. Ivanov, J. Phys. Chem. B, 114 (2010) 2650-2659.
92.
(R,R)-?,?-()-9,10,- -, - -. . , . , , 2010 (4), 66-74.
93. Conformations of Some Lower-Size Large-Ring Cyclodextrins Derived from Conformational Search with Molecular Dynamics Simulations and Principal Component Analysis, Petko M. Ivanov, Science and Supercomputing in Europe (Research Highlights 2010), HPC-Europa2, Pan-European Research Infrastructure on High-Performance Computing for the 21st century Science, Ed.: Silvia Monfardini, CINECA Consorzio Interuniversitario, 2010, p. 20 (ISBN 978-88-86037-24-2).
94. Conformations of Some Large-Ring Cyclodextrins (CDn, n=18, 19, 20) Potential Hosts for Nano-Sized Guest Molecules, Petko M. Ivanov, Nanoscience&Nano-technology, Nanoscience&Nanotechnology - Nanostructured materials Application and Innovation Transfer, E. Balabanova, E.; I. Dragieva, I. Eds., issue 11 (2011) 14-19, ISNN: 1313-8995.
95. Computational Studies on the Conformations of Some Large-Ring Cyclodextrins (CDn, n=20, 21, 22, 23), Petko M. Ivanov, Chirality, 23(2011) 628-637.
96. Conformations of Some Lower-Size Large-Ring Cyclodextrins Derived from Conformational Search with Molecular Dynamics and Principal Component Analysis, Petko M. Ivanov, Journal of Molecular Structure, 1009 (2012) 3-10.
97. Study on the Intramolecular Self-Organization of the Macrorings of some Large-Ring Cyclodextrins (CDn, n=40,55,70,85),
Petko M. Ivanov, Carlos Jaime, Science and Supercomputing in Europe (Research Highlights 2011), HPC-Europa2, Pan-European Research Infrastructure on High-Performance Computing for the 21st century Science, Ed.: Silvia Monfardini, CINECA Consorzio Interuniversitario, 2011, 16.
98. Molecular Dynamics Study of Host-Guest Inclusion Complexes of Smaller-Size Large-Ring Cyclodextrins,
Petko M. Ivanov, Science and Supercomputing in Europe (Research Highlights 2012), HPC-Europa2, Pan-European Research Infrastructure on High-Performance Computing for the 21st century Science, Ed.: Silvia Monfardini, 2012; online version only: http://www.hpc-europa.eu/files/2012/index2012.html.
99. Computational Study on the Conformations of CD38 and Inclusion Complexes of Some Lower-Size Large Ring Cyclodextrins, Petko M. Ivanov, Emanouil Atanassov, Carlos Jaime,
Journal of Molecular Structure, 1056-1057 (2014) 238-245 (Published online: 09.11.2013).

II. Reviews

1. "Molecular Mechanics and Molecular Modeling. Part 1. Potential Energy Functions in the Molecular Mechanics Method," P. M. Ivanov, Japan Chem. Program Exchange Newsletter, 3, No.4 (1992) 16-34.
2. "Molecular Mechanics and Molecular Modeling. Part 2. The Molecular Mechanics Force Field of Allinger. From MM1 to MM3," P. M. Ivanov, Japan Chem. Program Exchange Newsletter, 4, No.1 (1992) 9-33.
3. "Molecular Mechanics and Molecular Modeling. Part 3. Recent Experiences with the Employment of the Molecular Mechanics Force Field of Allinger to Stereochemical Problems," P. M. Ivanov, Japan Chem. Program Exchange Newsletter, 4, No.2 (1992) 9-20.
4. "Molecular Mechanics and Molecular Modeling. Part 4. Molecular Mechanics Models. An Overview," P. M. Ivanov, Japan Chem. Program Exchange Newsletter, 7(3) (1995) 3-33.
5. "Molecular Mechanics and Molecular Modeling. Part 5. The Class II Force Fields: MM3 and CFF93. Present Status," P. M. Ivanov, Japan Chem. Program Exchange Newsletter, 7(4) (1996) 13-37.
6. Conformations of Lower-Size Large Cyclodextrins (DP from 10 to 30) Derived from Conformational Search with Molecular Dynamics and Principal Component Analysis, Petko Ivanov, Current Physical Chemistry, 2 (2012) 413-442.

III. Textbooks

1. Petko Ivanov, Lecture Notes in Molecular Mechanics, a textbook deposited at the library of Facultat de Ciencies, Universitat Autonoma de Barcelona, 1996.

IV. Conferences Reports

1. "Empirical Force-Field and CNDO/2 Calculations on Dibenzyl" P. Ivanov, I. Pojarlieff and N. Tyutyulkov, results presented at the Second Symposium on Structure and Reactivity of Organic Compounds, September 29 - October 2, 1975, Sunny Beach, Burgas, Bulgaria.
2. "Methodological Remarks Concerning the Analysis of Torsional Energy Surfaces of Ring Systems by the Molecular Mechanics Method," P. M. Ivanov and E. Osawa, results presented at the Annual Meeting of the Chemical Society of Japan, Sappporo, August 21-28, 1983.
3. "Methodological Remarks Concerning the Analysis of Torsional Energy Surfaces of Ring Systems by the Molecular Mechanics Method," P. M. Ivanov and E. Osawa, results presented at the First Molecular Mechanics Symposium, Indianapolis, USA, June 23-24, 1983.
4. "A Remarkable Example for Nonadditivity of Interactions in Intramolecular Dynamics Processes," P. M. Ivanov, O. Ermer and E. Osawa, results presented at the Annual Meeting of the Chemical Society of Japan (Regional Section - Hokkaido), Sapporo, February 1-5, 1984.
5. "Conformations of (-)-Menthyl Esters of (+)-(S)- and (-)-(R)- Mendelic Acids," P. M. Ivanov, N. D. Berova and G. Snatzke, results presented at the International Conference on Circular Dichroism, Sofia, September 21-25, 1985, Bulgaria.
6. "Molecular Mechanics of Diastereoisomers with Phenyl Groups on Neighbouring Carbon Atoms," P. M. Ivanov and I. G. Pojarlieff, results presented at the First WATOC (87) World Congress of Theoretical Organic Chemists, Budapest, August 12-19, 1987, Hungary.
7. "Circular Dichroism of Compounds with Geminal Pyridyl and/or Aryl Chromophores", results included in a plenary review lecture of N. D. Berova, presented at the Second International Conference on Circular Dichroism, Budapest, August 1987, Hungary.
8. "Conformational Analysis of Arylpyridyl-methanes and Some Cyclic Analogs," S. E. Bojadziev, P. M. Ivanov, D. T. Tsankov, S. D. Simova and N. D. Berova, results presented at the 31-st International Congress of Pure and Applied Chemistry, July 13-18, 1987, Sofia, Bulgaria.
9. "RIRO-MM2," P. M. Ivanov, Presented at the Fifth Session of the Quantum Chemistry Commission, September 18-23, 1988, Burgas, Bulgaria.
10. "RIRO-MM2," P. M. Ivanov, Presented at the Fifth International Conference on Chemistry and Biotechnology of Biologically Active Natural Products, September 18-23, 1989, Varna, Bulgaria.
11. "Computational Test for the Performance of the Improved MM2 Aromatic Force Field," P. M. Ivanov, T. G. Momchilova and I. G. Pojarlieff, results presented at the Second World Congress of Theoretical Organic Chemists, July 8-14, 1990, Toronto, Canada.
12. "Crystal Energy Calculations - On the Disorder in the Crystals of Bridged Ferrocenophanes," P. M. Ivanov, J. Rudzinski and E. Osawa, results presented at the 13th Symposium on Chemical Information and Computer Science, November 28-30, 1990, Toyohashi, Japan.
13. "Molecular Mechanics and Molecular Dynamics Studies of Inclusion Complexes with Cyclodextrins" X. Sanchez-Ruiz, E. Cervello, P. Ivanov, D. Salvatierra and C. Jaime, results presented at the 11th Meeting of the Theoretical Chemists of Catalonia, June 26-28, 1995, Bellaterra, Barcelona, Spain.
14. "Computational Study of the Effect of Configuration and the Degree of Substitution at N in N>O and O>N Acyl Migration in Diastereoisomers of 3-Amino-1,2,3-triphenylpropanol; Steric Versus Stereoelectronic Effects," P. M. Ivanov and I. G. Pojarlieff, results presented at the 5th European Symposium on Organic Reactivity, July 16-21, 1995, Santiago de Compostela, Spain.
15. "Molecular Mechanics Modelling of the Inclusion Process of α-, β-, and γ-Cyclodextrins with 1-Bromoadamantane. Molecular Dynamics Simulations of the β-Cyclodextrin Inclusion Complex," P. M. Ivanov and C. Jaime, results presented at the 5th European Symposium on Organic Reactivity, July 16-21, 1995, Santiago de Compostela, Spain.
16. "KESSHOU: Molecular Mechanics Program for Molecular and Crystal Structure Optimization. Computational Study on the Ring Distortions of 1,4-Dicyanobenzene in the Gas Phase and in the Crystal. The Crystal Packing of 1,4-Dicyanobenzene vs. 1,4-Diisocyanobenzene, and the low-temperature phase of C60fullerite," P. M. Ivanov and E. Osawa, results presented at the NEDO Meeting for Reporting the Results from the Most Important Fields of Research and Technology Developments, February 12-14, 1997, Tokyo, Japan.
17. "Correlated Ab Initio Molecular Orbital (MP3, MP4) and Density Functional (PW91, MPW91) Studies on the Conformations of 1,2-Diphenylethane", N. Kurita and P. M. Ivanov, results presented at the Sixth European Workshop "Quantum Systems in Chemistry and Physics", April 19-24, 2001, Sofia, Bulgaria.
18. "The MM3 Directional Hydrogen Bond Potential Modeling vs. MM2 and Semiempirical Molecular Orbital Methods in the Conformational Analysis of Molecules with Prevailing Repulsive van der Waals Interactions," P. Ivanov, T. Momchilova, Z. Slanina, results presented at the Forth National Conference of Chemistry, September 27-29, 2001, Sofia, Bulgaria.
19. "Conformational Properties of Giant Cyclodextrines as Compared to the Native Cyclodextrins: A Molecular Dynamics Study", I. Bea, P. M. Ivanov, C. Jaime, results presented at the XIX Reunion Bienal de Quimica Organica (Real Sociedad Espanola de Quimica), June 11-14, 2002, Carmona, Sevilla, Spain.
20. "Molecular Mechanics Minimization Study of the Conformations of Tylosin", P. M. Ivanov, results presented at the XIX Reunion Bienal de Quimica Organica (Real Sociedad Espanola de Quimica), June 11-14, 2002, Carmona, Sevilla, Spain.
21. "Asociacion Entre α,α-Bis(trifluoromethyl)-9,10-antraceno-dimethanol (ABTE) y Benzenodimetanol. Un Caso de Complejos Bimodales," Carla Estivill, Petko Ivanov, Pau Nolis, Teo Parella, Francisco Sanchez-Ferrando, Albert Virgili, I-st Reunion Bienal del Grupo Especializado de RMN de la RSEQ (RealSociedad Espanola de Quimica), 20-23 de Octubre de 2002, Calella (Barcelona), Spain.
22. "Revised Studies on the Conformations of Some Large-Ring Cyclodextrins by Molecular Dynamics Simulations", Ivan Bea, Petko M. Ivanov, Carlos Jaime, Itziar Maestre, results presented at the XIX Reunio de la Xarxa de Quimica Teorica, 17 i 18 de Juliol de 2003, Girona, Spain.
23. "Large-Ring Cyclodextrins: Do They Have More Than One Cavity? A Molecular Dynamics Study", Petko M. Ivanov, Carlos Jaime, results presented at the Second Humboldt Conference on Computational Chemistry, September 1-5, 2004, Nesebar, Bulgaria.
24. "Large-Ring Cyclodextrins: Do They Have More Than One Cavity? A Molecular Dynamics Study", Petko M. Ivanov, Carlos Jaime, a plenary lecture presented at the Fifth National Conference of Chemistry, September 29-October 1st, 2004, Sofia, Bulgaria.
25. "Some Applications of the CONFLEX/MM3 Method in Conformational Analysis", Martin I. Kotev, Hitoshi Gotoh, Petko M. Ivanov, results presented at the Fifth National Conference of Chemistry, September 29-October 1st, 2004, Sofia, Bulgaria.
26."Computational (MM, MD and MDMM) Study of Bidentate Complexes of (R,R)- and meso-α,α-Bis(trifluoromethyl)-9,10-anthracenedimethanol with cis-1-Amino-2-indanol", Martin I. Kotev, Petko M. Ivanov, Albert Virgilli, Carla Estivill, results presented at the Third Humboldt Conference on Computational Chemistry, June 24-28, 2006, Varna, Bulgaria.
27."Chelate Effect in Cyclodextrin Dmers: A Computational (MD, MM/PBSA, and MM/GBSA) Study", Ivan Bea, Martin G. Gotsev, Petko M. Ivanov, Carlos Jaime, Peter A. Kollman, results presented at the Third Humboldt Conference on Computational Chemistry, June 24-28, 2006, Varna, Bulgaria.
28. "Large-Ring Cyclodextrins. Further Support for the Preferred Conformations of CD26 in Water Solution: Molecular Dynamics Studies on CD26-Derived Conformations of CDn (n = 24, 25, 27, 28, 29, 30)." Martin G. Gotsev, Petko M. Ivanov, results presented at the Third Humboldt Conference on Computational Chemistry, June 24-28, 2006, Varna, Bulgaria.
29."Search for More Efficient Host Systems: A Molecular Dynamics Study of the Conformational Dynamics and Energetics of Some Large-Ring Cyclodextrins." Martin G. Gotsev, Petko M. Ivanov, Carlos Jaime, results presented at the Third Humboldt Conference on Computational Chemistry, June 24-28, 2006, Varna, Bulgaria.
30. "Insights into the Conformational Dynamics and Energetics of Some Large-Ring Cyclodextrins through Molecular Dynamics Simulations in Solution." Martin G. Gotsev, Petko M. Ivanov, results presented at the International Symposium on Organic Chemistry, Sofia, Bulgaria, December 9-12, 2006, Sofia, Bulgaria.
31. "Molecular Mechanics (MM3(π)) Conformational Analysis of Molecules Containing Conjugated π-Electron Fragments: Leucomycin-V and a Molecular Tweezer." Martin I. Kotev, Petko M. Ivanov, results presented at the International Symposium on Organic Chemistry, Sofia, Bulgaria, December 9-12, 2006, Sofia, Bulgaria.
32. "Molecular Mechanics Modeling of the Reverse Shuttling in a Fullerene-Stoppered Rotaxane." Petko M. Ivanov, results presented at the International Symposium on Organic Chemistry, Sofia, Bulgaria, December 9-12, 2006, Sofia, Bulgaria.
33. Conformations of Some Large-Ring Cyclodextrins Derived from Conformational Search with Molecular Dynamics Simulations and Principal Component Analysis. Petko M. Ivanov, results presented at the 15th International Cyclodextrin Symposium, P113, May 9-12, 2010, Vienna, Austria.
34. Large-Ring Cyclodextrins Potential Hosts for Nano-sized Guest Molecules, Petko M. Ivanov, results presented at the 12-th Workshop Nanoscience&Nanotechnology, November 26-28, 2010, Varna, Bulgaria.
35. MADARA Computer Cluster, Specifically Dedicated to Computational Chemistry Problems. Studies on Macrorings and Complex Molecular Systems, Petko M. Ivanov, Action CM1002 Meeting - CODECS, The TIS 2011 Theoretical tools for In Silico Spectroscopy, 13-15 April, 2011, Paris, France.
36. Macrorings and Complex Molecular Systems with Potential Useful Applications, Petko M. Ivanov, results presented at the Ninth triennial congress of the World Association of Theoretical and Computational Chemists, Santiago de Compostela (Spain), 17-22 July, 2011, PI018.
37. Conformational Analysis of Macrorings and Components of Molecular Machines Petko M. Ivanov, Action CM1002 Meeting - CODECS, 16-18 November, 2011, Pisa, Italy.
38. Conformational Analysis of Macrorings and Components of Molecular Machines, Petko Ivanov, COST Action CM1005 Supramolecular Chemistry in Water, First Scientific Meeting, Villa Tuscolana, Frascati (Roma), Italy, November 19-21, 2011, P5, p. 43.
39. The Medicinal Chemistry Related Applications in HP-SEE Project. An End-User View, Branko J. Drakulic, Ciobanu-Zabet Dragos, Vasile Ionut, Petko Ivanov, Nicolay Dodoff, Aneta Karaivanova, Ivan O. Juranic, 15th Hellenic Symposium on Medicinal Chemistry, Athens, 25-27 May, 2012.
40. Molecular Mechanics Modeling and Simulations of Macrorings and Complex Molecular Systems, Petko Ivanov, Christo Tsvetanov, COST Action CM1005 Supramolecular Chemistry in Water, Second Scientific Meeting, Costa da Caparica, Lisabon, Portugal, November 16-20, 2012, P5, p. 43.
41. Molecular Mechanics Modeling and Simulations of Macrorings and Complex Molecular Systems, Petko Ivanov, COST Action CM1005 Supramolecular Chemistry in Water, Second Scientific Meeting, Costa da Caparica, Lisabon, Portugal, November 16-20, 2012,oral presentation.
42. Conformational Analysis of Large-Ring Cyclodextrins and Components of Molecular Machines. Petko M. Ivanov, results presented at the 16th International Cyclodextrin Symposium, PP-069, May 6-10, 2012, Tianjin, China.
43. Conformational Analysis of Thermo-responsive Oligomers bearing Amide Groups, Petko Ivanov, Christo Tsvetanov, Polymers 2012, XVII National Symposium Open to International Participation, May 31 June 2, 2012, Ribaritsa, Bulgaria.
44. Computational Study on the Conformations of CD38 and Inclusion Complexes of Some Lower-Size Cyclodextrins, Petko Ivanov, Emanouil Atanassov, Carlos Jaime, COST Action CM1005 Supramolecular Chemistry in Water, Third Scientific Meeting, Valletta, Malta, November 9-11, 2013.
45. Conformational Analysis of Large-Ring Cyclodextrins and Components of Molecular Machines. Petko M. Ivanov, COST, , 24-25 2013, , .

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