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La ricerca find articoli where soggetti phrase all words 'heat of formation' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 90 riferimenti
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    1. Traeger, JC
      Heats of formation for the propen-1-ol and propen-2-ol cations by photoionization mass spectrometry

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    2. Zhang, J; Xiao, HM; Gong, XD
      Theoretical studies on heats of formation for polynitrocubanes using the density functional theory B3LYP method and semiempirical MO methods

      JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    3. Schmitz, LR; Chen, KH; Labanowski, J; Allinger, NL
      Heats of formation of organic molecules calculated by density functional theory. III - Amines

      JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    4. Zhang, J; Xiao, HM; Xiao, JJ; Gong, XD
      Studies on heats of formation for polycyanocubanes with density functionaltheory B3LYP method and semiempirical MO methods

      ACTA CHIMICA SINICA
    5. Sikder, AK; Maddala, G; Agrawal, JP; Singh, H
      Important aspects of behaviour of organic energetic compounds: a review

      JOURNAL OF HAZARDOUS MATERIALS
    6. Arulmozhiraja, S; Sato, T; Yabe, A
      Benzdiynes revisited: Ab initio and density functional theory

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    7. Chen, PC; Wu, JC; Chen, SC
      Correlations between theoretical and experimental determination of heat offormation of certain aliphatic nitro compounds

      COMPUTERS & CHEMISTRY
    8. Chen, C; Wu, JC
      Correlations between theoretical and experimental determination of heat offormation of certain aromatic nitro compounds

      COMPUTERS & CHEMISTRY
    9. Commerscheidt, B; Gruehn, R
      Determination of temperature dependent partial pressures in closed systems. A new improved method. The heat of formation of RhI3,s

      ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
    10. Tomita, K; Suzuki, K; Ohishi, H; Nakanishi, I
      Molecular structure and mutual recognition between host and guest molecules found in the crystal structures of oxacalix[4]arenes complexed with xylene isomers

      JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY
    11. Chalk, AJ; Mayer, PM; Radom, L
      Rearrangement and fragmentation pathways of [C(3)H(7)Z](+) ions (Z = NH and S): are ion-neutral complexes important?

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    12. Traeger, JC
      Neutral and cationic heats of formation for ketene, methylketene, and dimethylketene

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    13. Badenes, MP; Tucceri, ME; Cobos, CJ
      Theoretical study of the heats of formation of SF, FSO, FSO2 and HSO radicals

      ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
    14. Ball, DW
      On the stability of xenon oxysulfides and sulfides

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    15. Jursic, BS
      Computing the heat of formation for cubane and tetrahedrane with density functional theory and complete basis set ab initio methods

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    16. El Hammadi, A; El Mouhtadi, M
      The theoretical determination of heats of formation, proton affinities andgas basicities of N and C-substituted pyrazoles: analysis of the substituent effects on the gas-phase basicity

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    17. Vayner, E; Ball, DW
      Ab initio and density functional optimized structures, proton affinities, and heats of formation for aziridine, azetidine, pyrrolidine, and piperidine

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    18. Hrusak, J; Herman, Z; Iwata, S
      Heat of formation of the SiF2++ dication: a theoretical prediction

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    19. Li, BH; Jin, QH; Zhu, SP; Guo, ZY; Ding, DT; Sun, PC
      Development of three-dimensional, four-connected framework structures withextra-large open pores

      MICROPOROUS AND MESOPOROUS MATERIALS
    20. Traeger, JC; Djordjevic, M
      Heat of formation for the vinyl alcohol cation by photoionization mass spectrometry

      EUROPEAN MASS SPECTROMETRY
    21. Chen, YG; Liu, BX
      Solid-state amorphization in the Y-Nb and Au-Ta systems

      PROGRESS IN NATURAL SCIENCE
    22. Nishitani, SR; Fujii, S; Mizuno, M; Tanaka, K; Tanaka, I; Adachi, H
      Madelung energy of metal-metalloid compounds

      COMPUTATIONAL MATERIALS SCIENCE
    23. Kulkarni, SC; Allinger, NL
      Molecular mechanics (MM3) study of the lactones of endobicyclo[2.2.2]oct-5-ene-2-carboxylic acid

      JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    24. Lien, EJ; Ren, SJ; Bui, HYH; Wang, RB
      Quantitative structure-activity relationship analysis of phenolic antioxidants

      FREE RADICAL BIOLOGY AND MEDICINE
    25. Mientus, R; Ellmer, K
      Reactive DC magnetron sputtering of elemental targets in Ar/N-2 mixtures: relation between the discharge characteristics and the heat of formation ofthe corresponding nitrides

      SURFACE & COATINGS TECHNOLOGY
    26. Jursic, BS
      Density functional theory investigation of physical properties of the OCCNradical and the cation

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    27. Jursic, BS
      High level ab initio and a hybrid density functional theory study of the bond dissociation energies and heats of formation for FOOF and FOOCl

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    28. Jursic, BS
      Energetic and structural properties of silicon dicarbides calculated with complete basis set and hybrid density functional theory methods

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    29. Koleva, V; Stoilova, D
      DTA, DSC and X-ray studies on copper and manganese selenate hydrates

      THERMOCHIMICA ACTA
    30. Okawara, T
      One-pot preparation and stereochemistry of saturated polyazapolyheterocycles

      JOURNAL OF SYNTHETIC ORGANIC CHEMISTRY JAPAN
    31. Francisco, JS
      An ab initio study of the structures and energetics of CH3OCl and CH3ClO

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    32. Pankratov, AN
      Semiempirical quantum chemical evaluation of thermodynamic and molecular properties of acyclic and aromatic compounds

      AFINIDAD
    33. XIE YQ
      ATOMIC ENERGIES AND GIBBS ENERGY FUNCTIONS OF AG-CU ALLOYS

      SCIENCE IN CHINA SERIES E-TECHNOLOGICAL SCIENCES
    34. GRAFOV BM
      HEAT OF FORMATION OF THE SURFACE AND THE GIBBS-HELMHOLTZ EQUATION

      Journal of electroanalytical chemistry [1992]
    35. ROTH WR; GLEITER R; PASCHMANN V; HACKLER UE; FRITZSCHE G; LANGE H
      NONCONCERTED COPE REARRANGEMENT

      EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
    36. GONG XD; XIAO HM; DONG HS
      QUANTUM-CHEMICAL STUDIES ON THE STRUCTURES, PROPERTIES AND DECOMPOSITION OF THE AZIDO DERIVATIVES OF TRINITROBENZENES

      Chinese journal of chemistry
    37. Nakamura, H; Nguyen-Manh, D; Pettifor, DG
      Electronic structure and energetics of LaNi5, alpha-La2Ni10H and beta-La2Ni10H14

      JOURNAL OF ALLOYS AND COMPOUNDS
    38. Moore, HJ; Olson, DL; Noufi, R
      Use of the effective heat of formation model to determine phase formation sequences of In-Se, Ga-Se, Cu-Se, and Ga-In multilayer thin films

      JOURNAL OF ELECTRONIC MATERIALS
    39. LABANOWSKI J; SCHMITZ L; CHEN KH; ALLINGER NL
      HEATS OF FORMATION OF ORGANIC-MOLECULES CALCULATED BY DENSITY-FUNCTIONAL THEORY - II - ALKANES

      Journal of computational chemistry
    40. PANKRATOV AN
      SEMIEMPIRICAL QUANTUM-CHEMICAL METHODS - TESTING OF THERMODYNAMIC ANDMOLECULAR-PROPERTIES OF CYCLIC NONAROMATIC HYDROCARBONS AND UNSATURATED HETEROCYCLES

      Journal of molecular structure. Theochem
    41. SHIELDS JE; GUELEV VM
      STRAIN ENERGIES AND HEATS OF FORMATION OF A SERIES OF BRIDGED DICYCLOPENTANES AS A FUNCTION OF STEREOCHEMISTRY AND BRIDGE SIZE

      Journal of molecular structure. Theochem
    42. BERRY RJ; EHLERS CJ; BURGESS DR; ZACHARIAH MR; NYDEN MR; SCHWARTZ M
      HALON THERMOCHEMISTRY - AB-INITIO CALCULATIONS OF THE ENTHALPIES OF FORMATION OF FLUOROETHANES

      Journal of molecular structure. Theochem
    43. SHIN DN; JUNG KH; HA TK
      A THEORETICAL-STUDY ON THE STRUCTURE, INTERNAL-ROTATION AND HEAT OF FORMATION OF THE PROTONATED FLUOROFORM CATION (CF3H2+)

      Journal of molecular structure. Theochem
    44. HACKERT A; GRUEHN R
      V2O3(OH)(4)(G), PROOF OF EXISTENCE, THERMOCHEMICAL CHARACTERIZATION, AND CHEMICAL-VAPOR TRANSPORT CALCULATIONS FOR V2O5(S) IN THE PRESENCE OF WATER

      Zeitschrift fur anorganische und allgemeine Chemie
    45. HACKERT A; PLIES V
      DETERMINATION OF TEMPERATURE-DEPENDENT PA RTIAL PRESSURES IN CLOSED SYSTEMS - A NEW METHOD - THE HEAT OF FORMATION FOR PTI2(S)

      Zeitschrift fur anorganische und allgemeine Chemie
    46. JIN QH; ZHU SP; SUN PC; LI BH; GUO ZY; DING DT
      TOPOLOGICAL STUDY OF A HYPOTHETICAL MOLECULAR-SIEVE MCR-16 WITH EXTRA-LARGE OPEN PORES

      Journal of molecular structure
    47. LU LH; CHEN C; SUN KC
      THEORETICAL-STUDY OF FULLERENE DERIVATIVES - C40H4 AND C40X4 CLUSTER MOLECULES

      International journal of quantum chemistry
    48. GUTHRIE JP; STEIN AR; HUNTINGTON AP
      THERMODYNAMICS OF METHANESULFONIC-ACID, METHANESULFONYL CHLORIDE, ANDMETHYL METHANESULFONATE

      Canadian journal of chemistry
    49. ZHANG HY; ZHANG ZY
      MOLECULAR MECHANICS STUDY ON CONFORMATION OF PERYLENEQUINONOID PHOTOSENSITIZERS

      Science in China. Series B, Chemistry, life sciences & earth sciences
    50. LECKER DN; KUMARI S; KHAN A
      IODINE BINDING-CAPACITY AND IODINE BINDING-ENERGY OF GLYCOGEN

      Journal of polymer science. Part A, Polymer chemistry
    51. SCOTT AP; RADOM L
      KETENE AND KETENE RADICAL-CATION - THE UNUSUAL EFFECT OF METHYL AND DIMETHYL SUBSTITUTION

      International journal of mass spectrometry and ion processes
    52. BARTLETT RJ; DELBENE JE; PERERA SA; MATTIE RP
      AMMONIA - THE PROTOTYPICAL LONE-PAIR MOLECULE

      Journal of molecular structure. Theochem
    53. GONG XD; XIAO HM; VANDEGRAAF B
      AB-INITIO STUDIES ON 4 ALKYL NITRIC ESTERS

      Journal of molecular structure. Theochem
    54. JURSIC BS
      COMPUTATION OF THE HEATS OF FORMATION OF CYCLOPROPANE AND CYCLOBUTANEDERIVATIVES USING DENSITY-FUNCTIONAL THEORY METHODS

      Journal of molecular structure. Theochem
    55. FINCH A; GARDNER PJ; HEAD AJ; WU XP
      THE ENTHALPY OF FORMATION OF 4-NITROPHENYL AZIDE

      Thermochimica acta
    56. KOLEVA V; STOILOVA D
      THERMAL DEHYDRATION OF COBALT SELENATE HYDRATES

      Thermochimica acta
    57. STOILOVA D; KOLEVA V
      TG, DTA, DSC AND X-RAY-POWDER DIFFRACTION STUDIES ON SOME NICKEL SELENATE HYDRATES

      Thermochimica acta
    58. TURKER L
      AM1 TREATMENT OF HUCKEL TYPE CYCLACENES

      Journal of molecular structure
    59. FUJIWARA K; HARADA A; AIHARA J
      CH BOND-DISSOCIATION ENERGIES OF POLYCYCLIC AROMATIC HYDROCARBON MOLECULAR CATIONS - THEORETICAL INTERPRETATION OF THE (M-1)(-SPECTRA() PEAK IN THE MASS)

      Journal of mass spectrometry.
    60. ROTH WR; BASTIGKEIT T; BORNER S
      ON THE ENERGY WELL OF DIRADICALS .4. THE ENERGY PROFILE FOR THE NO2-ADDITION TO CONJUGATED DOUBLE-BONDS - A REACTION WITH NEGATIVE ACTIVATION-ENERGY

      Liebigs Annalen
    61. ROTH WR; HOPF H; WASSER T; ZIMMERMANN H; WERNER C
      1,4-DIDEHYDRONAPHTHALIN

      Liebigs Annalen
    62. MOGILEVSKY P; GUTMANAS EY
      FIRST-PHASE FORMATION AT INTERFACES - EFFECTIVE HEAT OF FORMATION MODEL FOR TERNARY-SYSTEMS

      Materials science & engineering. A, Structural materials: properties, microstructure and processing
    63. CHANG CC; HUANG PC
      SEMIEMPIRICAL SIMULATION OF ZN CD BINDING-SITE PREFERENCE IN THE METAL-BINDING DOMAINS OF MAMMALIAN METALLOTHIONEIN/

      Protein engineering
    64. THERON CC; NDWANDWE OM; LOMBAARD JC; PRETORIUS R
      FIRST-PHASE FORMATION AT INTERFACES - COMPARISON BETWEEN WALSER-BENE AND EFFECTIVE HEAT OF FORMATION MODEL

      Materials chemistry and physics
    65. AKOPYAN IK; NOVIKOV BV
      DETERMINATION OF THE HEAT OF SUPERIONIC AG2HGI4, AND CU2HGI4 CRYSTALSFORMATION IN THE COURSE OF THE SOLID-STATE REACTIONS

      Solid state ionics
    66. GUELEV VM; SHIELDS JE
      STRAIN ENERGIES AND HEATS OF FORMATION OF PERHYDROPARACYCLOPHANES AS A FUNCTION OF STEREOCHEMISTRY AND BRIDGE SIZE

      Journal of molecular structure. Theochem
    67. BARRETT RA; MEIER RJ
      THE CALCULATION OF MOLECULAR ENTROPY USING THE SEMIEMPIRICAL AM1 METHOD

      Journal of molecular structure. Theochem
    68. HOSODA H; KAMIO A; SUZUKI T; MISHIMA Y
      PREDICTION OF SUBSTITUTIONAL BEHAVIOR OF TERNARY ELEMENTS IN B2 TYPE NITI, COTI, FETI AND NIAL

      Nippon Kinzoku Gakkaishi
    69. ROTH WR; HUNOLD F
      HEAT OF FORMATION AND STABILIZATION ENERG Y OF THE PENTAMETHYLCYCLOPENTADIENYL RADICAL

      Liebigs Annalen
    70. YAMAGUCHI K; YOSHIZAWA M; TAKEDA Y; KAMEDA K; ITAGAKI K
      MEASUREMENT OF THERMODYNAMIC PROPERTIES OF AL-SB SYSTEM BY CALORIMETERS

      Materials transactions, JIM
    71. PAYNE JR
      THERMOCHEMISTRY OF LEAD 2,4-DINITRORESORCINOL AND 4,6-DINITRORESORCINOL

      Thermochimica acta
    72. LIN HK; ZHU SR; GU ZX; CHEN YT
      CALORIMETRIC DETERMINATION OF THE HEATS OF FORMATION OF COMPETITIVE TERNARY MIXED-LIGAND COMPLEX-COMPOUNDS - ,10-TETRAAZACYCLOTRIDECANE-11,13-DIONE-ALPHA-AMINO ACIDS AND 5-SUBSTITUTED PHENANTHROLINES SYSTEMS

      Thermochimica acta
    73. STOILOVA D; KOLEVA V
      THERMAL DEHYDRATION OF MAGNESIUM SELENATE HYDRATES

      Thermochimica acta
    74. AN XW; GUO DJ
      FORMATION ENTHALPIES AND NONBONDING INTERACTIONS OF HEXACHLOROCYCLOHEXANES

      Thermochimica acta
    75. VEREVKIN SP; BECKHAUS HD; RUCHARDT C
      GEMINAL SUBSTITUTION EFFECTS .6. STANDARD HEATS OF FORMATION OF ALKYLSUBSTITUTED ALKOXYNITRILES AND ALPHA-CYANOCARBOXYLIC ACID-ESTERS

      Thermochimica acta
    76. GUTHRIE JP; LIU Z
      THE ENOLS OF ACETIC-ACID AND METHYL ACETATE

      Canadian journal of chemistry
    77. LIEBMAN JF
      WHEN IS OXYGEN A METAL

      Structural chemistry
    78. MAKINO Y
      INTERPRETATION OF BAND-GAP, HEAT OF FORMATION AND STRUCTURAL MAPPING FOR SP-BONDED BINARY COMPOUNDS ON THE BASIS OF BOND ORBITAL MODEL AND ORBITAL ELECTRONEGATIVITY

      Intermetallics
    79. YAMAGUCHI K; TAKEDA Y; KAMEDA K; ITAGAKI K
      MEASUREMENTS OF HEAT OF FORMATION OF GAP, INP, GAAS, INAAS, GASB AND INSB

      Materials transactions, JIM
    80. DASILVA MAVR; MATOS MAR; GONCALVES JM; JOHNSON PM; PILCHER G; BURKINSHAW PM; MORTIMER CT
      STANDARD ENTHALPIES OF FORMATION AND SUBLIMATION OF SOME CRYSTALLINE BIS(8-HYDROXYQUINOLATE) METAL-COMPLEXES

      Thermochimica acta
    81. PAYNE JR
      THERMOCHEMISTRY OF BARIUM STYPHNATE

      Thermochimica acta
    82. PAYNE JR
      THERMOCHEMISTRY OF SILVER STYPHNATE

      Thermochimica acta
    83. PAYNE JR
      THERMOCHEMISTRY OF LEAD STYPHNATE

      Thermochimica acta
    84. ROTH WR; HOPF H; HORN C
      THE ENERGY WELL OF DIRADICALS .5. 1,3,5-C YCLOHEXATRIENE-1,4-DIYL AND2,4-CYCLOHEXADIENE-1,4-DIYL

      Chemische Berichte
    85. KERESELIDZE JA; RAEVSKII NI; BORISOV YA
      A QUANTUM-CHEMICAL STUDY OF REGIOSELECTIVITY OF INDOLIZATION OF SOME UNSYMMETRICAL KETONE PHENYLHYDRAZONES

      Russian chemical bulletin
    86. AEBISCHER HA; SCHLAPBACH L
      NEW PREDICTED LIGHT TERNARY HYDRIDES OF SIMPLE METALS

      Zeitschrift für physikalische Chemie
    87. SCHULZE R; BECKHAUS HD; RUCHARDT C
      SUBSTITUENT EFFECTS ON THE STRENGTH OF C-C BONDS .13. KINETIC AND THERMODYNAMIC STABILITY OF ALPHA-ALKYLATED ALPHA-AMINO-ACID ESTERS - ENERGY OF STABILIZATION OF ALPHA-AMINO-ALPHA-(ETHOXYCARBONYL)ALKYL RADICALS

      Chemische Berichte
    88. ROTH WR; WOLLWEBER D; OFFERHAUS R; REKOWSKI V; LENNARTZ HW; SUSTMANN R; MULLER W
      THE ENERGY-WELL OF DIRADICALS .4. 2-METHY LENE-1,4-CYCLOHEXADIYL

      Chemische Berichte
    89. ROTH WR; WINZER M; LENNARTZ HW; BOESE R
      ENERGY WELL OF THE ORTHOGONAL TRIMETHYLEN EMETHANE - 1-METHYLENE-2-PHENYLCYCLOPROPANE THERMOLYSIS

      Chemische Berichte
    90. ENDO S; NODA Y; FURUKAWA Y
      TRANSPIRATION EXPERIMENT OF AGGAS2

      JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS


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Documento generato il 17/01/21 alle ore 07:53:36