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La ricerca find articoli where soggetti phrase all words 'HEATS OF FORMATION' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 51 riferimenti
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    1. Bouchoux, G; Chamot-Rooke, J; Leblanc, D; Mourgues, P; Sablier, M
      Proton affinity and heat of formation of vinyloxy [CH2CHO](.) and acetonyl[CH2COCH3](.) radicals

      CHEMPHYSCHEM
    2. Leal, JP; Cachata, V; Carvalho, A
      Standard enthalpies of formation of Li, Na, K and Tl cyclopentadienyls

      EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    3. Roth, WR; Wildt, H; Schlemenat, A
      Trimethylenemethane derivatives stabilized by conjugation II - Concerted or nonconcerted generation

      EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
    4. Lagoa, ALC; Diogo, HP; Dias, MP; de Piedade, MEM; Amaral, LMPF; da Silva, MAVR; Simoes, JAM; Guedes, RC; Cebral, BJC; Schwarz, K; Epple, M
      Energetics of C-Cl, C-Br, and C-I bonds in haloacetic acids: Enthalpies offormation of XCH2COOH (X = Cl, Br, I) compounds and the carboxymethyl radical

      CHEMISTRY-A EUROPEAN JOURNAL
    5. Brutti, S; Ciccioli, A; Balducci, G; Gigli, G; Manfrinetti, P; Napoletano, M
      Thermodynamic stabilities of intermediate phases in the Ca-Si system

      JOURNAL OF ALLOYS AND COMPOUNDS
    6. Politzer, P; Murray, JS
      Computational prediction of condensed phase properties from statistical characterization of molecular surface electrostatic potentials

      FLUID PHASE EQUILIBRIA
    7. Langley, CH; Lii, JH; Allinger, NL
      Molecular mechanics calculations on carbonyl compounds. IV. Heats of formation

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    8. Politzer, P; Murray, JS; Serninario, JM; Lane, P; Grice, ME; Concha, MC
      Computational characterization of energetic materials

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    9. Cheung, TS; Law, CK; Li, WK
      Gaussian-3 heats of formation for (CH)(6) isomers

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    10. Gambi, A; Giumanini, AG; Strazzolini, P
      Theoretical investigations on (CO)(n)(CO2)(m) cyclic cooligomers

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    11. Aubry, C; Holmes, JL
      The effect of phenyl substitution on the thermochemistry of gas-phase ionsand their neutral counterparts

      EUROPEAN JOURNAL OF MASS SPECTROMETRY
    12. Chalk, AJ; Radom, L
      The involvement of ion-neutral complexes in ethylene loss from [PhC(CH3)(2)](+) and its isomers

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    13. Hammerum, S; Henriksen, J; Henriksen, T; Solling, TI
      Methyl loss from conventional and distonic isomers of C3H7N center dot+1

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    14. Wilcox, CF; Zhang, YX; Bauer, SH
      The thermochemistry of TNAZ (1,3,3-trinitroazetidine) and related species:models for calculating heats of formation

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    15. Civcir, PU; Ogretir, C
      Investigation of the properties of some furylpyridine and thienylpyridine derivatives in the gas and aqueous phases using semiempirical methods

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    16. Szieberth, D; Veszpremi, T; Nguyen, MT
      Calculated heats of formation of simple phosphinidenes (phosphanylidenes, R-P)

      JOURNAL OF MOLECULAR STRUCTURE
    17. Cirkva, V; Bohm, S; Paleta, O
      Radical addition reactions of fluorinated species. Part 8. Regioselectivity of radical additions to perfluoroalkylethylenes and quantum chemical calculations. Highly selective two-step synthesis of 4-(perfluoroalkyl)butane-1,2-diols

      JOURNAL OF FLUORINE CHEMISTRY
    18. de Visser, SP; van der Horst, E; de Koning, LJ; van der Hart, WJ; Nibbering, NMM
      Characterization of isomeric C4H5- anions in the gas phase; Theory and experiment

      JOURNAL OF MASS SPECTROMETRY
    19. Turker, L
      AM1 treatment of cyclophanes with vinylic bridges

      POLYCYCLIC AROMATIC COMPOUNDS
    20. Pacios, LF; Gomez, PC
      Bonding in bromine oxides: Isomers of BrO2, Br2O2 and BrO3

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    21. Lu, LH
      Theoretical study of tricyclo[3,3,1,1(3,7)]decane, tricyclo[3,3,1,1(3,7)]decsilane molecules and their halogen derivatives, C10H12X4 and Si10H12X4 (X= F, Cl, Br, I)

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    22. Lu, LH
      Density functional study of tricyclo[3,3,1,1(3,7)]decane and tricycle[3,3,1,1(3,7)]decsilane and their halogen derivatives

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    23. HENRIKSEN J; HAMMERUM S
      HEATS OF FORMATION OF IMINE AND ENAMINE RADICAL CATIONS AND THE CORRESPONDING NEUTRAL MOLECULES

      International journal of mass spectrometry and ion processes
    24. MCKEE ML; MAYER PM; RADOM L
      AN AB-INITIO STUDY OF IONIZED CYCLOBUTANONE AND CYCLOPENTANONE - COMPARISON OF THE THERMODYNAMIC AND KINETIC STABILITIES OF THE DISTONIC ISOMERS CH2(CH2)(N)C+=O

      European mass spectrometry
    25. LING Y; LIFSHITZ C
      ENERGETICS OF THE CYCLO(PRO-GLY) CATION FRAGMENTATION - A MASS-SPECTROMETRIC STUDY AND THEORETICAL CALCULATIONS

      Journal of mass spectrometry.
    26. TAKEDA K; KAJII Y; SHIBUYA K; OBI K
      HEATS OF FORMATION OF INTERMEDIATE RADICALS IN SOLUTION

      Journal of photochemistry and photobiology. A, Chemistry
    27. REINDL B; SCHLEYER PV
      MOLECULAR MECHANICS AND AB-INITIO CALCULATIONS ON CYCLOPENTADIENYL CATIONS

      Journal of computational chemistry
    28. CHEUNG YS; WONG CK; LI WK
      AB-INITIO CALCULATIONS OF THE HEATS OF FORMATION FOR (CH)(6) ISOMERS

      Journal of molecular structure. Theochem
    29. JURSIC BS
      COMPUTING HEATS OF FORMATION FROM CBS-Q TOTAL ENERGIES AND THE EXPERIMENTAL HEATS OF VAPORIZATION OF GRAPHITE AND RHOMBIC SULFUR

      Journal of molecular structure. Theochem
    30. ETZLSTORFER C; FALK H
      CONCERNING THE STRUCTURAL COMPLEXITY OF HYPERICIN - THE RELATIVE STABILITIES OF SOME NEUTRAL AND DEPROTONATED TAUTOMERS

      Monatshefte fuer Chemie
    31. ROTH WR; WASSER T; GLEITER R; WEIGL H
      BICYCLO[4.4.0]DECA-1,6-DIENE-2,7-DIYL - A 1,4-DIDEHYDROBUTADIENE DERIVATIVE

      Liebigs Annalen
    32. HAMMERUM S
      HEATS OF FORMATION OF GAS-PHASE IONS CALCULATED BY COMPOSITE AB-INITIO PROCEDURES

      International journal of mass spectrometry and ion processes
    33. JURSIC BS
      THE DENSITY-FUNCTIONAL THEORY EVALUATION OF THE HEATS OF FORMATION OFSOME AROMATIC-COMPOUNDS THROUGH THE ISODESMIC APPROACH

      Journal of molecular structure. Theochem
    34. BALL DW
      DENSITY-FUNCTIONAL CALCULATIONS ON THE HEATS OF FORMATION OF CYCLIC HYDROCARBONS

      Journal of molecular structure. Theochem
    35. PANKRATOV AN; SHCHAVLEV AE
      SEMIEMPIRICAL QUANTUM-CHEMICAL METHODS - TESTING OF PHYSICOCHEMICAL PROPERTIES OF ACYCLIC AND AROMATIC-COMPOUNDS

      Journal of molecular structure. Theochem
    36. OVCHINNIKOV AA; BOZHENKO KV
      AB-INITIO QUANTUM-CHEMICAL CALCULATIONS OF INTERACTIONS OF IONS AND HYDRIDES OF ALKALI-METALS WITH C3H6 AND C4H8 MOLECULES

      Russian chemical bulletin
    37. GRZEGOZEK M; WOZNIAK M; VANDERPLAS H
      REGIOSELECTIVITY IN SNH REACTIONS OF NITROQUINOLINES WITH CHLOROMETHYL PHENYL SULFONE

      Liebigs Annalen
    38. GERSON AR; RALSTON J; SMART RS
      AN INVESTIGATION OF THE MECHANISM OF GIBBSITE NUCLEATION USING MOLECULAR MODELING

      Colloids and surfaces. A, Physicochemical and engineering aspects
    39. PRETORIUS R
      PREDICTION OF SILICIDE FORMATION AND STABILITY USING HEATS OF FORMATION

      Thin solid films
    40. ZEFIROV NS; KUZNETSOVA TS; ZEFIROV AN
      TRIANGULANES

      Russian chemical bulletin
    41. POLITZER P; LANE P; SJOBERG P; GRICE ME; SHECHTER H
      CALCULATED STRUCTURES AND HEATS OF FORMATION OF SOME PREDICTED C, N, O, F MOLECULES

      Structural chemistry
    42. ROTH WR; STAEMMLER V; NEUMANN M; SCHMUCK C
      RADICAL-STABILIZATION-ENERGY - THE MMEVBH FORCE-FIELD

      Liebigs Annalen
    43. SEKIGUCHI O; KOSAKA T; KINOSHITA T; TAJIMA S
      FRAGMENTATION OF ORGANOSULFUR COMPOUNDS UPON ELECTRON-IMPACT - 2-MERCAPTOETHANOL AND 1,2-ETHANEDITHIOL

      International journal of mass spectrometry and ion processes
    44. GRICE ME; POLITZER P
      HEATS OF FORMATION, STRUCTURES AND RELATIVE STABILITIES OF SOME TETRAAZAPENTALENE-RELATED MOLECULES

      Journal of molecular structure. Theochem
    45. ZHANG Z; POLLARD R
      GROUP ADDITIVITY VALUES FOR STANDARD HEATS OF FORMATION OF GASEOUS CHLOROFLUOROCARBONS AND RELATED SPECIES

      Thermochimica acta
    46. TACCONE RA; SALINOVICH O
      SEMIEMPIRICAL CALCULATIONS ON BIS-HALOMETHYL SULFIDES - A COMPARISON OF THE STRUCTURES AND OTHER PARAMETERS BY MNDO, AM1 AND PM3 METHODS

      Journal of fluorine chemistry
    47. KUROSAWA S; SEKIYA A; SHIBAKAMI M; TAMURA M; ARIMURA T
      SEMIEMPIRICAL MOLECULAR-ORBITAL STUDIES OF MONOFLUORINATION REACTIONS- REACTION OF HYDROFLUOROCARBONS OVER COBALT TRIFLUORIDE

      Journal of fluorine chemistry
    48. NGUYEN MT
      HYDROGEN-CYANIDE LOSS FROM [CH5N2](- 1,2-ELIMINATION VERSUS BECKMANN REARRANGEMENT() CATIONS )

      International journal of mass spectrometry and ion processes
    49. RAKUS K; VEREVKIN SP; SCHATZER J; BECKHAUS HD; RUCHARDT C
      THERMOLABILE HYDROCARBONS .33. THERMOCHEMISTRY AND THERMAL-DECOMPOSITION OF 9,9'-BIFLUORENYL AND 9,9'-DIMETHYL-9,9'-BIFLUORENYL - THE STABILIZATION ENERGY OF 9-FLUORENYL RADICALS

      Chemische Berichte
    50. WELLE F; VEREVKIN SP; KELLER M; BECKHAUS HD; RUCHARDT C
      SUBSTITUENT EFFECTS ON THE STRENGTH OF C- C BONDS .14. KINETIC AND THERMODYNAMIC STABILITY OF 2,3-BIS(DIALKYLAMINO)-1,4-DIKETONES - ENERGY OF STABILIZATION OF ALPHA-DIALKYLAMINO ALPHA-CARBONYLALKYL RADICALS WITH CAPTO-DATIVE SUBSTITUENTS

      Chemische Berichte
    51. FURKA A; CZIMER I
      NEW THERMOCHEMICAL REFERENCE SYSTEM EXPRESSING THE RELATIVE ENERGY OFORGANIC-COMPOUNDS

      Structural chemistry


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 16/01/21 alle ore 22:09:56