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La ricerca find articoli where soggetti phrase all words 'EFFECTIVE EXCHANGE INTEGRALS' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 48 riferimenti
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    1. Matsuoka, F; Yamashita, Y; Kawakami, T; Kitagawa, Y; Yoshioka, Y; Yamaguchi, K
      Theoretical investigation on the magnetic interaction of the tetrathiafulvalene-nitronyl nitroxide stacking model: possibility of organic magnetic metals and magnetic superconductors

      POLYHEDRON
    2. Onishi, T; Takano, Y; Kitagawa, Y; Kawakami, T; Yoshioka, Y; Yamaguchi, K
      Theoretical study of the magnetic interaction for M-O-M type metal oxides.Comparison of broken-symmetry approaches

      POLYHEDRON
    3. Kitagawa, Y; Kawakami, T; Yoshioka, Y; Yamaguchi, K
      Theoretical studies on magnetic interactions of the metal dimers and theiracetate complexes

      POLYHEDRON
    4. Kawakami, T; Kitagawa, Y; Matsuoka, F; Yamashita, Y; Isobe, H; Nagao, H; Yamaguchi, K
      Possibilities of molecular magnetic metals and high T-c superconductors infield effect transistor configurations

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    5. Kitagawa, Y; Soda, T; Shigeta, Y; Yamanaka, S; Yoshioka, Y; Yamaguchi, K
      Improvement of the hybrid density functional method from the viewpoint of effective exchange integrals

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    6. Oshio, H; Yamamoto, M; Ito, T; Kawauchi, H; Koga, N; Ikoma, T; Tero-Kubota, S
      Experimental and theoretical studies on ferromagnetically coupled metal complexes with imino nitroxides

      INORGANIC CHEMISTRY
    7. Tyutyulkov, N; Dietz, F; Madjarova, G; Mullen, K
      Nature of the magnetic interaction in organic radical crystals. 4. Magnetic interaction in mixed molecular radical crystals

      JOURNAL OF PHYSICAL CHEMISTRY B
    8. Mitani, M; Yamaki, D; Takano, Y; Kitagawa, Y; Yoshioka, Y; Yamaguchi, K
      Density-functional study of intramolecular ferromagnetic interaction through m-phenylene coupling unit (II): Examination of functional dependence

      JOURNAL OF CHEMICAL PHYSICS
    9. Mitani, M; Mori, H; Takano, Y; Yamaki, D; Yoshioka, Y; Yamaguchi, K
      Density functional study of intramolecular ferromagnetic interaction through m-phenylene coupling unit (I): UBLYP, UB3LYP, and UHF calculations

      JOURNAL OF CHEMICAL PHYSICS
    10. Oda, A; Nagao, H; Kitagawa, Y; Shigeta, Y; Yamaguchi, K
      Theoretical studies on magnetic behavior in clusters by the genetic algorithms

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    11. Nagao, H; Nishino, M; Shigeta, Y; Soda, T; Kitagawa, Y; Onishi, T; Yoshioka, Y; Yamaguchi, K
      Theoretical studies on effective spin interactions, spin alignments and macroscopic spin tunneling in polynuclear manganese and related complexes andtheir mesoscopic clusters

      COORDINATION CHEMISTRY REVIEWS
    12. Onishi, T; Soda, T; Kitagawa, Y; Takano, Y; Yamaki, D; Takamizawa, S; Yoshioka, Y; Yamaguchi, K
      Theoretical study of the antiferromagnetic model clusters for K2MX4 type solids

      MOLECULAR CRYSTALS AND LIQUID CRYSTALS
    13. Kitagawa, Y; Soda, T; Onishi, T; Takano, Y; Nishino, M; Yoshioka, Y; Yamaguchi, K
      Theoretical studies on magnetic interactions of dichromium tetraacetate byusing hybrid density functional method

      MOLECULAR CRYSTALS AND LIQUID CRYSTALS
    14. Yamaguchi, K; Yamanaka, S; Nishino, M; Takano, Y; Kitagawa, Y; Nagao, H; Yoshioka, Y
      Symmetry and broken symmetries in molecular orbital descriptions of unstable molecules II. Alignment, flustration and tunneling of spins in mesoscopic molecular magnets

      THEORETICAL CHEMISTRY ACCOUNTS
    15. Okumura, M; Kawakami, T; Oda, A; Yamaguchi, K; Mito, M; Takeda, K
      Theoretical studies of the pressure effects for beta-phase of p-NPNN

      MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS
    16. Mitani, M; Takano, Y; Yoshioka, Y; Yamaguchi, K
      Density functional study of intramolecular ferromagnetic interaction through m-phenylene coupling unit. III. Possibility of high-spin polymer

      JOURNAL OF CHEMICAL PHYSICS
    17. Heise, H; Kohler, FH; Mota, F; Novoa, JJ; Veciana, J
      Determination of the spin distribution in nitronylnitroxides by solid-state H-1, H-2, and C-13 NMR spectroscopy

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    18. Maruta, G; Takeda, S; Imachi, R; Ishida, T; Nogami, T; Yamaguchi, K
      Solid-state high-resolution H-1 and D-2 NMR study of the electron spin density distribution of the hydrogen-bonded organic ferromagnetic compound 4-hydroxyimino-TEMPO

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    19. DEUMAL M; NOVOA JJ; BEARPARK MJ; CELANI P; OLIVUCCI M; ROBB MA
      ON THE VALIDITY OF THE MCCONNELL-I MODEL OF FERROMAGNETIC INTERACTIONS - THE [2.2]PARACYCLOPHANE EXAMPLE

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    20. Valladares, RM; Fisher, AJ; Blundell, SJ; Hayes, W
      Studies of implanted muons in organic radicals

      JOURNAL OF PHYSICS-CONDENSED MATTER
    21. KAWAKAMI T; YAMANAKA S; TAKANO Y; YOSHIOKA Y; YAMAGUCHI K
      THEORETICAL-STUDY OF ELECTRONIC-STRUCTURES OF ONE-DIMENSIONAL MAGNETIC CLUSTERS COMPOSED OF DOUBLET LITHIUM AND COPPER ATOMS

      Journal of molecular structure. Theochem
    22. NISHINO M; MASHIMA K; TAKEDA S; TANAKA M; MORI W; TANI K; NAKAMURA A; YAMAGUCHI K
      CASCI AND CASSCF STUDIES OF DINUCLEAR TRANSITION-METAL SYSTEMS WITH QUADRUPLE METAL-METAL BONDS (M=CR(II), MO(II))

      Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals
    23. TAKUI T; SATO K; SHIOMI D; NAKAZAWA S; YANO M; KINOSHITA T; ABE K; ITOH K; NAKAMURA T; MOMOSE T; SHIDA T
      SYNTHESES OF MODEL OLIGOMERS FOR POLYIONIC ORGANIC FERROMAGNETICS ANDTHEIR HIGH-SPIN CHARACTERIZATION BY FT PULSED ESR ELECTRON-SPIN TRANSIENT NUTATION (ESTN) SPECTROSCOPY AS A NOVEL EXPERIMENTAL-TECHNIQUE

      Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals
    24. YAMAKI D; TAKEDA S; MORI W; YAMAGUCHI K
      CASSCF CALCULATIONS FOR NEUTRAL AND ANION-RADICAL STATES OF SEVERAL PI-CONJUGATED BIS-METHYLENE SYSTEMS

      Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals
    25. YOSHIZAWA K; YAMABE T; HOFFMANN R
      ORBITAL INTERACTION ANALYSIS OF MCCONNELLS MODEL FOR THROUGH-SPACE MAGNETIC COUPLING

      Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals
    26. QIU YQ; ZHAO CD
      AB-INITIO RESEARCH ON THE GROUND-STATE SP INS OF BICARBENES AND BINITRENES

      Huaxue xuebao
    27. DIETZ F; TYUTYULKOV N; CHRISTEN C; LUDERS K
      NATURE OF THE MAGNETIC INTERACTION OF WURSTER RADICALS IN THE SOLID-STATE

      Chemical physics
    28. NAGAO H; MITANI M; NISHINO M; YOSHIOKA Y; YAMAGUCHI K
      POSSIBILITIES OF CHARGE-MEDIATED AND OR SPIN-MEDIATED SUPERCONDUCTORSAND PHOTO INDUCED SUPERCONDUCTORS IN THE INTERMEDIATE REGION OF METAL-INSULATOR TRANSITIONS/

      International journal of quantum chemistry
    29. YOSHIOKA Y; YAMAKI D; MARUTA G; TSUNESADA T; TAKADA K; NORO T; YAMAGUCHI K
      MO-THEORETICAL DESCRIPTION OF ELECTRONIC-STRUCTURES OF TRICENTRIC BISDESMIPHILES IN THE GROUND AND EXCITED-STATES

      Bulletin of the Chemical Society of Japan
    30. YOSHIZAWA K; KUGA T; SATO T; HATANAKA M; TANAKA K; YAMABE T
      THROUGH-BOND AND THROUGH-SPACE INTERACTIONS OF ORGANIC RADICALS COUPLED BY M-PHENYLENE

      Bulletin of the Chemical Society of Japan
    31. TAKUI T; TEKI Y; SATO K; ITOH K
      TOPOLOGICAL SPIN POLARIZATION AND A VB PICTURE OF INFINITE-MODEL SYSTEMS FOR ORGANIC POLYMER MAGNETS IN TERMS OF ELECTRONIC BAND CALCULATIONS

      Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals
    32. KAWAKAMI T; YAMANAKA S; NAGAO H; MORI W; KAMACHI M; YAMAGUCHI K
      THEORETICAL APPROACHES TO MOLECULAR MAGNETISM .2. NO-OVERLAP AND ORIENTATION PRINCIPLES FOR FERROMAGNETIC INTERACTIONS

      Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals
    33. YOSHIZAWA K; HOFFMANN R
      POTENTIAL LINEAR-CHAIN ORGANIC FERROMAGNETS

      Chemistry
    34. ZUEV PS; SHERIDAN RS
      ORGANIC POLYCARBENES - GENERATION, CHARACTERIZATION, AND CHEMISTRY

      Tetrahedron
    35. YAMANAKA S; KAWAKAMI T; YAMADA S; NAGAO H; NAKANO M; YAMAGUCHI K
      THEORETICAL-STUDIES OF SPIN-DENSITY POPULATIONS ON NITROXIDE AND NITRONYLNITROXIDE DERIVATIVES

      Chemical physics letters
    36. KAWAKAMI T; YAMANAKA S; MORI W; YAMAGUCHI K; KAJIWARA A; KAMACHI M
      NO-OVERLAP AND ORIENTATION PRINCIPLE FOR FERROMAGNETIC INTERACTIONS BETWEEN NITROXIDE GROUPS

      Chemical physics letters
    37. YAMANAKA S; KAWAKAMI T; OKUMURA M; YAMAGUCHI K
      CASSCF AND CASPT2 CALCULATIONS OF HOLE-DOPED POLYCARBENES - POSSIBILITIES OF ORGANIC FERROMAGNETIC CONDUCTORS AND METALS

      Chemical physics letters
    38. YAMANAKA S; OKUMURA M; NAGAO H; YAMAGUCHI K
      CASSCF AND CASPT2 CALCULATIONS OF HOLE-DOPED AMINES WITH TRIPLET CARBENE GROUPS - POSSIBILITIES OF HIGH-T-C ORGANIC FERRIMAGNETS

      Chemical physics letters
    39. MILLER JS; EPSTEIN AJ
      ORGANIC AND ORGANOMETALLIC MOLECULAR MAGNETIC-MATERIALS - DESIGNER MAGNETS

      Angewandte Chemie, International Edition in English
    40. NISHIDE H; KANEKO T; IGARASHI M; TSUCHIDA E; YOSHIOKA N; LAHTI PM
      MAGNETIC CHARACTERIZATION AND COMPUTATIONAL MODELING OF POLY(PHENYLACETYLENE)S BEARING STABLE RADICAL GROUPS

      Macromolecules
    41. OKUMURA M; YAMAGUCHI K; AWAGA K
      FERROMAGNETIC INTERMOLECULAR INTERACTION OF THE CATION-RADICAL OF M-N-METHYLPYRIDINIUM NITRONYL NITROXIDE - A CASSCF STUDY

      Chemical physics letters
    42. YAMAGUCHI K; HAYASHI S; OKUMURA M; NAKANO M; MORI W
      ELECTRONIC-STRUCTURES OF POLY-CATIONS AND POLY-ANIONS OF C60 - POSSIBLE MECHANISMS OF ORGANIC FERROMAGNETISM

      Chemical physics letters
    43. OKUMURA M; MORI W; YAMAGUCHI K
      A MO-THEORETICAL CALCULATION OF THE ANTIFERROMAGNETISM IN THE GAMMA-PHASE OF P-NITROPHENYL NITRONYL NITROXIDE

      Chemical physics letters
    44. OKUMURA M; MORI W; YAMAGUCHI K
      THEORETICAL-STUDIES OF MAGNETIC ORDERINGS IN THE BETA-PHASE AND GAMMA-PHASE OF P-NPNN AND RELATED NITROXIDES

      Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals
    45. OKUMURA M; TAKADA K; MAKI J; NORO T; MORI W; YAMAGUCHI K
      THEORETICAL APPROACHES TO MOLECULAR MAGNETISMS - THROUGH-BOND COUPLINGS BETWEEN TRIPLET CARBENES AND RELATED SPECIES

      Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals
    46. OKUMURA M; YAMAGUCHI K; NAKANO M; MORI W
      A THEORETICAL EXPLANATION OF THE ORGANIC FERROMAGNETISM IN THE BETA-PHASE OF PARA-NITROPHENYL NITRONYL NITROXIDE

      Chemical physics letters
    47. YAMAGUCHI K; OKUMURA M; MAKI J; NORO T
      HIGH-SPIN ION RADICALS OF POLYENES AND POLYAMINES - A MO THEORETICAL-STUDY

      Chemical physics letters
    48. KOLLMAR C; KAHN O
      FERROMAGNETIC SPIN ALIGNMENT IN MOLECULAR-SYSTEMS - AN ORBITAL APPROACH

      Accounts of chemical research


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Documento generato il 25/10/20 alle ore 10:03:17