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La ricerca find articoli where soggetti phrase all words 'ABINITIO HEATS' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 31 riferimenti
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    1. Earley, CW
      Ab Initio Investigation of Strain in Group 14 polyhedrane clusters (MnHn :n = 4, 6, 8, 10, 12, 16, 20, 24)

      JOURNAL OF PHYSICAL CHEMISTRY A
    2. Rasmussen, DR; Radom, L
      Hemispiroalkaplanes: Hydrocarbon cage systems with a pyramidal-tetracoordinate carbon atom and remarkable basicity

      CHEMISTRY-A EUROPEAN JOURNAL
    3. Bito, Y; Shida, N; Toru, T
      Ab initio MRSD-CI calculations of the ground and the two lowest-lying excited states of pyrene

      CHEMICAL PHYSICS LETTERS
    4. Schulman, JM; Disch, RL
      Aromatic character of [n]helicenes and [n]phenacenes

      JOURNAL OF PHYSICAL CHEMISTRY A
    5. Biedermann, PU; Pogodin, S; Agranat, I
      Inversion barrier of corannulene. A benchmark for bowl-to-bowl inversions in fullerene fragments

      JOURNAL OF ORGANIC CHEMISTRY
    6. NOTARIO R; ABBOUD JLM
      PROBING THE LIMITS OF RESONANCE STABILIZATION - THE CASE OF LINEAR POLYACENES

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    7. GOODPASTER JV; HARRISON JF; MCGUFFIN VL
      AB-INITIO STUDY OF POLYCYCLIC AROMATIC-HYDROCARBONS IN THEIR GROUND AND EXCITED-STATES

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    8. COLVIN ME; JANSSEN CL; SEIDL ET; NIELSEN IMB; MELIUS CF
      ENERGIES, RESONANCE AND UHF INSTABILITIES IN POLYCYCLIC AROMATIC-HYDROCARBONS AND LINEAR POLYENES

      Chemical physics letters
    9. GIMARC BM; ZHAO M
      STRAIN AND RESONANCE ENERGIES IN MAIN-GROUP HOMOATOMIC RINGS AND CLUSTERS

      Coordination chemistry reviews
    10. JEMMIS ED; SUBRAMANIAN G; SASTRY GN; MEHTA G; SHIRSAT RN; GADRE SR
      MOLECULAR ELECTROSTATIC POTENTIAL TOPOGRAPHICAL STUDIES ON THE STRUCTURAL MOTIFS OF C-60

      Perkin transactions. 2
    11. SALCEDO R
      STAR MOLECULES, DERIVATIVES AND POLYMERS OF CORANNULENES - A THEORETICAL APPROACH

      Journal of molecular structure. Theochem
    12. BALL DW
      ON THE DELTA-H-F VALUES OF TETRAHEDRANE AND CUBANE - DENSITY-FUNCTIONAL THEORY CALCULATIONS

      Journal of molecular structure. Theochem
    13. ZHAO M; GIMARC BM
      STRAIN ENERGIES OF SILICON RINGS AND CLUSTERS

      Inorganic chemistry
    14. GIMARC BM; ZHAO M
      STRAIN ENERGIES IN HOMOATOMIC NITROGEN CLUSTERS N-4, N-6, AND N-8

      Inorganic chemistry
    15. SCHULMAN JM; DISCH RL
      THEORETICAL-STUDIES OF THE [N]PHENYLENES

      Journal of the American Chemical Society
    16. RASSAT A; SCALMANI G; SEROUSSI D; BERTHIER G
      STRUCTURE AND STABILITY OF SPHEROALKANES (CH)(10)

      Journal of molecular structure. Theochem
    17. SORGER K; SCHLEYER PV
      PLANAR AND INHERENTLY NON-TETRAHEDRAL TETRACOORDINATE CARBON - A STATUS-REPORT

      Journal of molecular structure. Theochem
    18. SYGULA A; RABIDEAU PW
      STRUCTURE AND INVERSION BARRIERS OF CORANNULENE, ITS DIANION AND TETRAANION - AN AB-INITIO STUDY

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

      Theoretica Chimica Acta
    20. GLUKHOVTSEV MN; LAITER S; PROSS A
      THERMOCHEMISTRY OF CYCLOBUTADIENE AND TETRAHEDRANE - A HIGH-LEVEL COMPUTATIONAL STUDY

      Journal of physical chemistry
    21. SUDLOW K; WOOLF AA
      STABILIZATION OF TRUNCATED TETRAHEDRANES BY FLUORINATION

      Journal of fluorine chemistry
    22. SIEGEL JS; SEIDERS TJ
      FROM BOWLS TO SADDLES

      Chemistry in Britain
    23. BECKHAUS HD; RUCHARDT C; KOZHUSHKOV SI; BELOV VN; VEREVKIN SP; DEMEIJERE A
      STRAIN ENERGIES IN [N]TRIANGULANES AND SPIROCYCLOPROPANATED CYCLOBUTANES - AN EXPERIMENTAL-STUDY

      Journal of the American Chemical Society
    24. CIOSLOWSKI J; EDGINGTON L; STEFANOV BB
      STERIC OVERCROWDING IN PERHALOGENATED CYCLOHEXANES, DODECAHEDRANES, AND [60]FULLERANES

      Journal of the American Chemical Society
    25. GODDARD R; HAENEL MW; HERNDON WC; KRUGER C; ZANDER M
      CRYSTALLIZATION OF LARGE PLANAR POLYCYCLIC AROMATIC-HYDROCARBONS - THE MOLECULAR AND CRYSTAL-STRUCTURES OF HEXABENZO[BC,EF,HI,KL,NO,QR]CORONENE AND BENZO[L,2,3-BC 4,5,6-B'C']DICORONENE/

      Journal of the American Chemical Society
    26. VERSTEEG U; KOCH W
      THE VALENCE ISOMERS OF (CH)(8) AND (SIH)(8) - AN AB-INITIO MO STUDY

      Journal of computational chemistry
    27. SYGULA A; RABIDEAU PW
      BOWL-TO-BOWL INVERSION IN POLYNUCLEAR AROMATIC-HYDROCARBONS WITH CURVED SURFACES - AN AB-INITIO STUDY

      Journal of the Chemical Society, Chemical Communications
    28. DISCH RL; SCHULMAN JM
      THEORETICAL-STUDIES OF THE INVERSION BARRIER IN CORANNULENES

      Journal of the American Chemical Society
    29. BECKHAUS HD; RUCHARDT C; LAGERWALL DR; PAQUETTE LA; WAHL F; PRINZBACH H
      EXPERIMENTAL ENTHALPIES OF FORMATION AND STRAIN ENERGIES FOR THE CAGED C20H20 PAGODANE AND DODECAHEDRANE FRAMEWORKS

      Journal of the American Chemical Society
    30. RASSAT A; SEROUSSI D; COULOMBEAU C
      SPHEROALCANES MODELS AS EXAMPLES OF SHAPE S CORRESPONDING TO DIFFERENT SYMMETRY POINT-GROUPS

      Journal de chimie physique et de physico-chimie biologique
    31. SCHULMAN JM; DISCH RL
      BENZOCYCLOBUTENE AND BENZO[1,2,4,5]DICYCLOBUTENE - THE POSSIBILITY OFVALENCE ISOMERISM

      Journal of the American Chemical Society


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Documento generato il 25/01/21 alle ore 16:12:15