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    1. Bach, RD; Dmitrenko, O; Glukhovtsev, MN
      A theoretical study of the effect of a tetraalkylammonium counterion on the hydrogen bond strength in Z-hydrogen maleate

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    2. Bach, RD; Canepa, C; Glukhovtsev, MN
      Influence of electrostatic effects on activation barriers in enzymatic reactions: Pyridoxal 5 '-phosphate-dependent decarboxylation of alpha-amino acids

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    3. GLUKHOVTSEV MN; BACH RD; NAGEL CJ
      A HIGH-LEVEL COMPUTATIONAL STUDY ON THE THERMOCHEMISTRY AND THERMAL-DECOMPOSITION OF SULFUR MUSTARD (2,2'-DICHLOROETHYL SULFIDE) - A CHEMICAL WARFARE AGENT

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    4. BABOUL AG; SCHLEGEL HB; GLUKHOVTSEV MN; BACH RD
      COMPUTATIONAL STUDY ON NATURE OF TRANSITION STRUCTURE FOR OXYGEN-TRANSFER FROM DIOXIRANE AND CARBONYLOXIDE

      Journal of computational chemistry
    5. GLUKHOVTSEV MN; BACH RD
      AB-INITIO STUDY ON THE THERMOCHEMISTRY OF VINYL RADICAL AND CATION

      Chemical physics letters
    6. GLUKHOVTSEV MN; CANEPA C; BACH RD
      THE NATURE OF THE TRANSITION STRUCTURE FOR THE OXIDATION OF ALKANES WITH DIOXIRANES

      Journal of the American Chemical Society
    7. BACH RD; ESTEVEZ CM; WINTER JE; GLUKHOVTSEV MN
      ON THE ORIGIN OF SUBSTRATE DIRECTING EFFECTS IN THE EPOXIDATION OF ALLYL ALCOHOLS WITH PEROXYFORMIC ACID

      Journal of the American Chemical Society
    8. BACH RD; GLUKHOVTSEV MN; CANEPA C
      OXIDATION OF ALKENES, SULFIDES, AMINES, AND PHOSPHINES WITH PEROXYNITROUS ACID - COMPARISON WITH OTHER OXIDANTS SUCH AS PEROXYFORMIC ACID AND DIMETHYLDIOXIRANE

      Journal of the American Chemical Society
    9. BACH RD; GLUKHOVTSEV MN; GONZALEZ C
      HIGH-LEVEL COMPUTATIONAL STUDY OF THE STEREOELECTRONIC EFFECTS OF SUBSTITUENTS ON ALKENE EPOXIDATIONS WITH PEROXYFORMIC ACID

      Journal of the American Chemical Society
    10. BACH RD; GLUKHOVTSEV MN; GONZALEZ C; MARQUEZ M; ESTEVEZ CM; BABOUL AG; SCHLEGEL HB
      NATURE OF THE TRANSITION STRUCTURE FOR ALKENE EPOXIDATION BY PEROXYFORMIC ACID, DIOXIRANE, AND DIMETHYLDIOXIRANE - A COMPARISON OF B3LYP DENSITY-FUNCTIONAL THEORY WITH HIGHER COMPUTATIONAL LEVELS

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    11. GLUKHOVTSEV MN; BACH RD; NAGEL CJ
      PERFORMANCE OF THE B3LYP ECP DFT CALCULATIONS OF IRON-CONTAINING COMPOUNDS/

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    12. GLUKHOVTSEV MN; BACH RD
      A HIGH-LEVEL COMPUTATIONAL STUDY ON THE THERMOCHEMISTRY OF VINYL AND FORMYL HALIDES - HEATS OF FORMATION, DISSOCIATION-ENERGIES, AND STABILIZATION ENERGIES

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    13. GLUKHOVTSEV MN; BACH RD; LAITER S
      ISODESMIC AND HOMODESMOTIC STABILIZATION ENERGIES OF [N]ANNULENES ANDTHEIR RELEVANCE TO AROMATICITY AND ANTIAROMATICITY - IS ABSOLUTE ANTIAROMATICITY POSSIBLE

      Journal of molecular structure. Theochem
    14. GLUKHOVTSEV MN; BACH RD; LAITER S
      SINGLE-STEP AND MULTISTEP MECHANISMS OF AROMATIC NUCLEOPHILIC-SUBSTITUTION OF HALOBENZENES AND HALONITROBENZENES WITH HALIDE ANIONS - AB-INITIO COMPUTATIONAL STUDY

      Journal of organic chemistry
    15. GLUKHOVTSEV MN; BACH RD; LAITER S
      HIGH-LEVEL COMPUTATIONAL STUDY ON THE THERMOCHEMISTRY OF SATURATED AND UNSATURATED 3-MEMBERED AND 4-MEMBERED NITROGEN AND PHOSPHORUS RINGS

      International journal of quantum chemistry
    16. GLUKHOVTSEV MN; BACH RD
      METHYLENE-IODONIUM YLIDE - AN ISOMER OF DIIODOMETHANE

      Chemical physics letters
    17. GLUKHOVTSEV MN; BACH RD
      AB-INITIO STUDY ON THE THERMOCHEMISTRY OF DIPHOSPHINE (P2H4) AND DIPHOSPHINE RADICAL-CATION (P2H4+.)

      Chemical physics letters
    18. MAYER PM; GLUKHOVTSEV MN; GAULD JW; RADOM L
      THE EFFECTS OF PROTONATION ON THE STRUCTURE, STABILITY, AND THERMOCHEMISTRY OF CARBON-CENTERED ORGANIC RADICALS

      Journal of the American Chemical Society
    19. GLUKHOVTSEV MN; PROSS A; RADOM L
      ACIDITIES, PROTON AFFINITIES, AND OTHER THERMOCHEMICAL PROPERTIES OF HYPOHALOUS ACIDS HOX (X=F-I) - A HIGH-LEVEL COMPUTATIONAL STUDY

      Journal of physical chemistry
    20. GLUKHOVTSEV MN; LAITER S
      THERMOCHEMISTRY OF TETRAZETE AND TETRAAZATETRAHEDRANE - A HIGH-LEVEL COMPUTATIONAL STUDY

      Journal of physical chemistry
    21. GLUKHOVTSEV MN; LAITER S; PROSS A
      THERMOCHEMICAL ASSESSMENT OF THE AROMATIC AND ANTIAROMATIC CHARACTERSOF THE CYCLOPROPENYL CATION, CYCLOPROPENYL ANION, AND CYCLOPROPENYL RADICAL - A HIGH-LEVEL COMPUTATIONAL STUDY

      Journal of physical chemistry
    22. NICOLAIDES A; RAUK A; GLUKHOVTSEV MN; RADOM L
      HEATS OF FORMATION FROM G2, G2(MP2), AND G2(MP2,SVP) TOTAL ENERGIES

      Journal of physical chemistry
    23. GLUKHOVTSEV MN; DRANSFELD A; SCHLEYER PV
      WHY PENTAPHOSPHOLE, P5H, IS PLANAR IN CONTRAST TO PHOSPHOLE, (CH)(4)PH

      Journal of physical chemistry
    24. JIAO HJ; SCHLEYER PV; GLUKHOVTSEV MN
      ARE THE D-MH SYMMETRICAL H-X(Q) RINGS WITH 4N-ELECTRONS AND HYDROGEN CLUSTERS AROMATIC(2 SIGMA)

      Journal of physical chemistry
    25. GLUKHOVTSEV MN; BACH RD; LAITER S
      COMPUTATIONAL STUDY OF THE THERMOCHEMISTRY OF C5H5- WHICH C5H5+ ISOMER IS THE MOST STABLE( ISOMERS )

      Journal of physical chemistry
    26. GLUKHOVTSEV MN; PROSS A; MCGRATH MP; RADOM L
      EXTENSION OF GAUSSIAN-2 (G2) THEORY TO BROMINE-CONTAINING AND IODINE-CONTAINING MOLECULES - USE OF EFFECTIVE CORE POTENTIALS (VOL 103, PG 1878, 1995)

      The Journal of chemical physics
    27. GLUKHOVTSEV MN; JIAO HJ; SCHLEYER PV
      BESIDES N-2, WHAT IS THE MOST STABLE-MOLECULE COMPOSED ONLY OF NITROGEN-ATOMS

      Inorganic chemistry
    28. GAULD JW; GLUKHOVTSEV MN; RADOM L
      THE STRUCTURE OF THE METHANOL RADICAL-CATION - AN ARTIFICIALLY SHORT C-O BOND WITH MP2 THEORY

      Chemical physics letters
    29. GLUKHOVTSEV MN; BACH RD; PROSS A; RADOM L
      THE PERFORMANCE OF B3-LYP DENSITY-FUNCTIONAL THEORY IN DESCRIBING S(N)2 REACTIONS AT SATURATED CARBON

      Chemical physics letters
    30. GLUKHOVTSEV MN; PROSS A; SCHLEGEL HB; BACH RD; RADOM L
      GAS-PHASE IDENTITY S(N)2 REACTIONS OF HALIDE ANIONS AND METHYL HALIDES WITH RETENTION OF CONFIGURATION

      Journal of the American Chemical Society
    31. GLUKHOVTSEV MN; PROSS A; RADOM L
      GAS-PHASE NONIDENTITY S(N)2 REACTIONS OF HALIDE ANIONS WITH METHYL HALIDES - A HIGH-LEVEL COMPUTATIONAL STUDY

      Journal of the American Chemical Society
    32. PEPPER MJM; SHAVITT I; SCHLEYER PV; GLUKHOVTSEV MN; JANOSCHEK R; QUACK M
      IS THE STEREOMUTATION OF METHANE POSSIBLE

      Journal of computational chemistry
    33. GLUKHOVTSEV MN
      SHOULD THE STANDARD BASIS-SETS BE AUGMENTED WITH DIFFUSE FUNCTIONS ONHYDROGENS TO PROVIDE A REASONABLE DESCRIPTION OF THE LOWEST RYDBERG STATE OF HYDROGEN-CONTAINING MOLECULES

      Journal of molecular structure. Theochem
    34. GLUKHOVTSEV MN; LAITER S
      HIGH-LEVEL AB-INITIO STABILIZATION ENERGIES OF BENZENE

      Theoretica Chimica Acta
    35. GLUKHOVTSEV MN; PROSS A; NICOLAIDES A; RADOM L
      IS THE MOST STABLE GAS-PHASE ISOMER OF THE BENZENIUM CATION A FACE-PROTONATED PI-COMPLEX

      Journal of the Chemical Society, Chemical Communications
    36. GLUKHOVTSEV MN; LAITER S; PROSS A
      THERMOCHEMISTRY OF CYCLOBUTADIENE AND TETRAHEDRANE - A HIGH-LEVEL COMPUTATIONAL STUDY

      Journal of physical chemistry
    37. GLUKHOVTSEV MN; PROSS A; MCGRATH MP; RADOM L
      EXTENSION OF GAUSSIAN-2 (G2) THEORY TO BROMINE-CONTAINING AND IODINE-CONTAINING MOLECULES - USE OF EFFECTIVE CORE POTENTIALS

      The Journal of chemical physics
    38. GLUKHOVTSEV MN; PROSS A; RADOM L
      GAS-PHASE IDENTITY S(N)2 REACTIONS OF HALIDE ANIONS WITH METHYL HALIDES - A HIGH-LEVEL COMPUTATIONAL STUDY

      Journal of the American Chemical Society
    39. GLUKHOVTSEV MN; PROSS A; RADOM L
      GAS-PHASE IDENTITY S(N)2 REACTIONS OF HALIDE-IONS AT NEUTRAL NITROGEN- A HIGH-LEVEL COMPUTATIONAL STUDY

      Journal of the American Chemical Society
    40. GLUKHOVTSEV MN; SZULEJKO JE; MCMAHON TB; GAULD JW; SCOTT AP; SMITH BJ; PROSS A; RADOM L
      NEW THEORETICAL AND EXPERIMENTAL PROTON AFFINITIES FOR METHYL HALIDESAND DIAZOMETHANE - A REVISION OF THE METHYL CATION AFFINITY SCALE

      Journal of physical chemistry
    41. SCHLEYER PV; JIAO HJ; GLUKHOVTSEV MN; CHANDRASEKHAR J; KRAKA E
      DOUBLE AROMATICITY IN THE 3,5-DEHYDROPHENYL CATION AND IN CYCLO[6]CARBON

      Journal of the American Chemical Society
    42. GLUKHOVTSEV MN; PROSS A; RADOM L
      IS S(N)2 SUBSTITUTION WITH INVERSION OF CONFIGURATION AT VINYLIC CARBON FEASIBLE

      Journal of the American Chemical Society
    43. GLUKHOVTSEV MN; REINDL B; SCHLEYER PVR
      WHAT IS THE PREFERRED STRUCTURE OF THE SINGLET CYCLOPENTADIENYL CATION

      Mendeleev communications
    44. SIMKIN BY; GLUZ EB; GLUKHOVTSEV MN; MINKIN VI
      THEORETICAL-STUDY OF MECHANISMS OF AROMATIC NUCLEOPHILIC-SUBSTITUTIONIN THE GAS-PHASE

      Journal of molecular structure. Theochem
    45. GLUKHOVTSEV MN; SCHLEYER PV; MAERKER C
      PENTAAZA- AND PENTAPHOSPHACYCLOPENTADIENIDE ANIONS AND THEIR LITHIUM AND SODIUM DERIVATIVES - STRUCTURES AND STABILITIES

      Journal of physical chemistry
    46. GLUKHOVTSEV MN; SCHLEYER PV; STEIN A
      CAN 4-CENTER 2-ELECTRON BONDING ALONE PROVIDE STABILITY OF A MOLECULE

      Journal of physical chemistry
    47. GLUKHOVTSEV MN; SCHLEYER PV
      POLYATOMIC-MOLECULES WITHOUT ELECTRON-PAIR BONDS - HIGH-SPIN TRIGONAL, TETRAHEDRAL, AND OCTAHEDRAL LITHIUM CLUSTERS

      Israel Journal of Chemistry
    48. GLUKHOVTSEV MN; SCHLEYER PV; LAMMERTSMA K
      CAN THE H-4(2+) DICATION EXIST

      Chemical physics letters
    49. GLUKHOVTSEV MN; SCHLEYER PV; HOMMES NJRV; MINKIN VI
      ARE THE C4V COMPLEXES OF CYCLOBUTADIENE WITH CO, NO+, AND CS MINIMA

      Chemical physics letters
    50. GLUKHOVTSEV MN; KIRIENKOVA TV; SIMKIN BY
      QUANTUM-CHEMICAL STUDY OF CYCLOPROPANE DICATION - SIGMA-ANTIAROMATICITY AND METHODS FOR DEVELOPING THE STRUCTURAL STABILITY

      ZHURNAL ORGANICHESKOI KHIMII
    51. GLUKHOVTSEV MN; LAITER SY; SIMKIN BY
      QUANTUM-CHEMICAL STUDY OF HALOCYCLOBUTADIENES OF C3H3HLG WHERE (HLG=F,CL,BR,I) ORGANIC-MOLECULES CONTAINING DICOORDINATED HALOGEN ATOMS

      ZHURNAL ORGANICHESKOI KHIMII
    52. GLUZ EB; GLUKHOVTSEV MN; SIMKIN BY; MINKIN VI
      STRUCTURAL STABILITY OF ANION SIGMA-COMPLEXES IN REACTIONS OF AROMATIC NUCLEOPHILIC-SUBSTITUTION - C6H6X- WHERE (X=F,CL,BR,I)

      ZHURNAL ORGANICHESKOI KHIMII


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Documento generato il 18/01/21 alle ore 23:58:23