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La ricerca find articoli where soggetti phrase all words 'QUADRUPOLE COUPLING-CONSTANTS' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 135 riferimenti
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    1. Spackman, MA; Mitchell, AS
      Basis set choice and basis set superposition error (BSSE) in periodic Hartree-Fock calculations on molecular crystals

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    2. Ludwig, R
      Water: From clusters to the bulk

      ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    3. Lopes, KC; Pereira, FS; Ramos, MN; de Araujo, RCMU
      An ab-initio study of the C3H6-HX, C2H4-HX and C2H2-HX hydrogen-bonded complexes with X=F or CI

      SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
    4. Ma, HL; Yang, FJ
      Measurement of hyperfine coupling constants of the excited states 4f(7)(S-8(7/2)0)6p(3/2)(7/2,3/2) in Eu-151,153(+)

      CHINESE PHYSICS
    5. Sutter, DH; Dreizler, H
      Fluoroacetylenes and deuterofluoroacetylenes, synthesized in a pulsed discharge nozzle; a molecular beam Fourier transform microwave spectroscopy study combined with quantum chemical calculations

      ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
    6. Poleshchuk, OK; Makiej, K; Ostafin, M; Nogaj, B
      Electronic structure of nitrogen-chlorine bonds in some compounds studied by NQR spectroscopy and DFT calculations

      MAGNETIC RESONANCE IN CHEMISTRY
    7. Bagno, A; Menna, E; Scorrano, G; Zerbinati, S
      NMR properties (chemical shift and relaxation rate) of acceptor and hydrogen bridge nuclei in hydrogen-bonded complexes

      MAGNETIC RESONANCE IN CHEMISTRY
    8. Huelsekopf, M; Ludwig, R
      Correlations between structural, NMR and IR spectroscopic properties of N-methylacetamide

      MAGNETIC RESONANCE IN CHEMISTRY
    9. Bailey, WC
      HF-DFT calculations of N-14 and Cl-35 quadrupole coupling constants on optimized molecular structures of pyridine and the monochloropyridines

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    10. Lopes, KC; Pereira, FS; de Araujo, RCMU; Ramos, MN
      An ab initio study of the structural and vibrational properties of the C3H6-HCN, C2H4-HCN and C2H2-HCN hydrogen-bonded complexes

      JOURNAL OF MOLECULAR STRUCTURE
    11. Russo, N; Sicilia, E; Toscano, M; Grand, A
      Theoretical prediction of nuclear quadrupole coupling constants of DNA andRNA nucleic acid bases

      JOURNAL OF MOLECULAR STRUCTURE
    12. Kawashima, Y
      The rotational spectrum of chlorodimethylsilane using Fourier transform microwave spectroscopy

      JOURNAL OF MOLECULAR STRUCTURE
    13. Gee, M; Wasylishen, RE
      Hyperfine parameters for aluminum hydride: An ab initio molecular orbital study

      JOURNAL OF MOLECULAR SPECTROSCOPY
    14. Yamamoto, S; Habara, H; Kim, E; Nagasaka, H
      Fourier transform millimeter-wave spectroscopy of chlorocarbene (HCCl)

      JOURNAL OF CHEMICAL PHYSICS
    15. Hardy, EH; Zygar, A; Zeidler, MD; Holz, M; Sacher, FD
      Isotope effect on the translational and rotational motion in liquid water and ammonia

      JOURNAL OF CHEMICAL PHYSICS
    16. Bryce, DL; Wasylishen, RE
      Ab initio calculations of NMR parameters for diatomic molecules - An exercise in computational chemistry

      JOURNAL OF CHEMICAL EDUCATION
    17. Larin, AV; Vercauteren, DP
      Quadrupole coupling constants C-QQ for H-2, Al-27, and O-17 atoms calculated at the periodic Hartree-Fock level for understanding the geometry of H-form aluminosilicates

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    18. Papadantonakis, GA; Stevenson, KL; LeBreton, PR
      Evidence of temperature dependent activation barriers for near-threshold aqueous photoionization of 2 '-deoxyguanosine and tryptophan

      CHEMICAL PHYSICS LETTERS
    19. Davey, JB; Legon, AC; Waclawik, ER
      Electric charge redistribution in BrCl resulting from interaction with Ar:the rotational spectrum of the linear complex Ar center dot center dot center dot BrCl

      CHEMICAL PHYSICS LETTERS
    20. Bakhmutov, VI; Bakhmutova, EV; Belkova, NV; Bianchini, C; Epstein, LM; Masi, D; Peruzzini, M; Shubina, ES; Vorontsov, EV; Zanobini, F
      In-depth NMR and IR study of the proton transfer equilibrium between [{(MeC(CH2PPh2)(3)}Ru(CO)H-2] and hexafluoroisopropanol

      CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
    21. Kaposi, AD; Vanderkooi, JM; Wright, WW; Fidy, J; Stavrov, SS
      Influence of static and dynamic disorder on the visible and infrared absorption spectra of carbonmonoxy horseradish peroxidase

      BIOPHYSICAL JOURNAL
    22. Kaposi, AD; Wright, WW; Fidy, J; Stavrov, SS; Vanderkooi, JM; Rasnik, I
      Carbonmonoxy horseradish peroxidase as a function of pH and substrate: Influence of local electric fields on the optical and infrared spectra

      BIOCHEMISTRY
    23. Bryant, PL; Harwell, CR; Mrse, AA; Emery, EF; Gan, ZH; Caldwell, T; Reyes, AP; Kuhns, P; Hoyt, DW; Simeral, LS; Hall, RW; Butler, LG
      Structural characterization of MAO and related aluminum complexes. 1. Solid-state Al-27 NMR with comparison to EFG tensors from ab initio molecular orbital calculations

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    24. Wu, G; Dong, S
      Two-dimensional O-17 multiple quantum magic-angle spinning NMR of organic solids

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    25. Ropp, J; Lawrence, C; Farrar, TC; Skinner, JL
      Rotational motion in liquid water is anisotropic: A nuclear magnetic resonance and molecular dynamics simulation study

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    26. Dong, S; Ida, R; Wu, G
      A combined experimental and theoretical O-17 NMR study of crystalline urea: An example of large hydrogen-bonding effects

      JOURNAL OF PHYSICAL CHEMISTRY A
    27. Wu, G; Hook, A; Dong, S; Yamada, K
      A solid-state NMR and theoretical study of the O-17 electric field gradient and chemical shielding tensors of the oxonium ion in p-toluenesulfonic acid monohydrate

      JOURNAL OF PHYSICAL CHEMISTRY A
    28. Marstokk, KM; de Meijere, A; Mollendal, H; Wagner-Gillen, K
      Microwave spectrum, conformation, dipole moment, and quantum chemical calculations of 1-amino-1-ethenylcyclopropane

      JOURNAL OF PHYSICAL CHEMISTRY A
    29. Hardy, EH; Zygar, A; Zeidler, MD
      Nuclear magnetic relaxation measurements on liquid acetonitrile and acetonitrile water mixtures

      ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
    30. Jain, AK; Chandra, P
      Ab-initio MO calculations of electric field gradients at Cl-35 and H-2 nuclei in SiH3Cl, SiH2Cl2, SiCl2 and SiHCl3 molecules

      INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
    31. Prasad, R; Chandra, P
      Ab-initio MRD-CI Studies of electric field gradient (efg) and dipole moment of CCN radical at CASSCF optimized geometries for X-2 Pi, a(4)Sigma(-), A(2)Delta, B-2 Sigma(-) and C-2 Sigma(+) electronic states

      INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
    32. Wasylishen, RE; Bryce, DL; Evans, CJ; Gerry, MCL
      Hyperfine structure in the rotational spectrum of GaF: A comparison of experimental and calculated spin-rotation and electric field gradient tensors

      JOURNAL OF MOLECULAR SPECTROSCOPY
    33. Bakhmutov, VI; Bianchini, C; Peruzzini, M; Vizza, F; Vorontsov, EV
      H-1- and H-2-T-1 relaxation behavior of the rhodium dihydrogen complex [(triphos)Rh(eta(2)-H-2)H-2](+)

      INORGANIC CHEMISTRY
    34. Aime, S; Dastru, W; Gobetto, R; Viale, A
      An NMR study of H(mu-H)Os-3(CO)(11)

      INORGANIC CHEMISTRY
    35. Yamada, K; Dong, S; Wu, G
      Solid-state O-17 NMR investigation of the carbonyl oxygen electric-field-gradient tensor and chemical shielding tensor in amides

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    36. Latajka, Z; Mielke, Z; Olbert-Majkut, A; Wieczorek, R; Tokhadze, KG
      Ab initio calculations and matrix infrared spectra of the nitrous acid complexes with HF and HCl

      PCCP PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    37. Legon, AC
      Prereactive complexes of dihalogens XY with Lewis bases B in the gas phase: A systematic case for the halogen analogue B - XY of the hydrogen bond B - HX

      ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    38. Burns, WA; Phillips, JA; Canagaratna, M; Goodfriend, H; Leopold, KR
      Partially formed bonds in HCN-SO3 and CH3CN-SO3: A comparison between donor-acceptor complexes of SO3 and BF3

      JOURNAL OF PHYSICAL CHEMISTRY A
    39. Bryce, DL; Wasylishen, RE
      Beryllium-9 NMR study of solid bis(2,4-pentanedionato-O,O ')beryllium and theoretical studies of Be-9 electric field gradient and chemical shielding tensors. First evidence for anisotropic beryllium shielding

      JOURNAL OF PHYSICAL CHEMISTRY A
    40. Carper, WR
      Direct determination of quadrupolar and dipolar NMR correlation times fromspin-lattice and spin-spin relaxation rates

      CONCEPTS IN MAGNETIC RESONANCE
    41. Gawinecki, R; Kolehmainen, E; Zakrzewski, A; Laihia, K; Osmialowski, B; Kauppinen, R
      Predominance of inductive over resonance substituent effect on S-33 NMR chemical shifts of 4-substituted phenyl-4 '-methylphenacyl sulfones

      MAGNETIC RESONANCE IN CHEMISTRY
    42. Palmer, MH; Walker, IC; Guest, MF
      The electronic states of thiophene studied by optical (VUV) absorption, near-threshold electron energy-loss (EEL) spectroscopy and ab initio multi-reference configuration interaction calculations

      CHEMICAL PHYSICS
    43. Spackman, MA; Byrom, PG; Alfredsson, M; Hermansson, K
      Influence of intermolecular interactions on multipole-refined electron densities

      ACTA CRYSTALLOGRAPHICA SECTION A
    44. Seth, M; Pernpointner, M; Bowmaker, GA; Schwerdtfeger, P
      Vibrational-rotational dependence of molecular properties. Electric field gradients for HCl, LiCl, NaCl and KCl

      MOLECULAR PHYSICS
    45. Marstokk, KM; de Meijere, A; Wagner-Gillen, K; Mollendal, H
      The structural and conformational properties of 1-amino-1-ethynylcyclopropane as studied by microwave spectroscopy and quantum chemical calculations

      JOURNAL OF MOLECULAR STRUCTURE
    46. Schwerdtfeger, P; Pernpointner, M; Laerdahl, JK
      The accuracy of current density functionals for the calculation of electric field gradients: A comparison with ab initio methods for HCl and CuCl

      JOURNAL OF CHEMICAL PHYSICS
    47. Jagielska, A; Moszynski, R; Piela, L
      Ab initio theoretical study of interactions in borazane molecule

      JOURNAL OF CHEMICAL PHYSICS
    48. Kalodimos, CG; Gerothanassis, IP; Pierattelli, R; Ancian, B
      Carbon-13 and oxygen-17 chemical shifts, (O-16/O-18) isotope effects on C-13 chemical shifts, and vibrational frequencies of carbon monoxide in various solvents and of the Fe-C-O unit in carbonmonoxy heme proteins and synthetic model compounds

      INORGANIC CHEMISTRY
    49. Penner, GH; Chang, YCP; Hutzal, J
      A deuterium NMR spectroscopic study of solid BH3NH3

      INORGANIC CHEMISTRY
    50. Kawashima, Y; Ohshima, Y; Endo, Y
      Rotational spectrum of the N-2 center dot center dot CO complex: ortho-N-2and para-N-2

      CHEMICAL PHYSICS LETTERS
    51. Facey, GA; Fong, TP; Gusev, D; Macdonald, PM; Morris, RH; Schlaf, M; Xu, W
      Probing the motion of the eta(2)-dideuterium ligand by solution and solid-state H-2 NMR spectroscopy

      CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
    52. Vojtechovsky, J; Chu, K; Berendzen, J; Sweet, RM; Schlichting, I
      Crystal structures of myoglobin-ligand complexes at near-atomic resolution

      BIOPHYSICAL JOURNAL
    53. Muller, JD; McMahon, BH; Chien, EYT; Sligar, SG; Nienhaus, GU
      Connection between the taxonomic substates and protonation of histidines 64 and 97 in carbonmonoxy myoglobin

      BIOPHYSICAL JOURNAL
    54. Schulze, BG; Evanseck, JD
      Cooperative role of Arg45 and His64 in the spectroscopic A(3) state of carbonmonoxy myoglobin: Molecular dynamics simulations, multivariate analysis,and quantum mechanical computations

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    55. Dreizler, H; Andresen, U; Grabow, JU; Sutter, DH
      On the measurement of rotational spectra of monodeuterated asymmetric top molecules in natural abundance demonstrated for monofluorobenzene

      ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
    56. Caminati, W; Favero, PG; Velino, B
      Adducts of aromatic molecules with rare gases: rotational spectrum of pyrazole-argon

      CHEMICAL PHYSICS
    57. BRUNNER E; STERNBERG U
      SOLID-STATE NMR INVESTIGATIONS ON THE NATURE OF HYDROGEN-BONDS

      Progress in nuclear magnetic resonance spectroscopy
    58. PRATT DW
      HIGH-RESOLUTION SPECTROSCOPY IN THE GAS-PHASE - EVEN LARGE MOLECULES HAVE WELL-DEFINED SHAPES

      Annual review of physical chemistry
    59. Huber, S; Makarewicz, J; Bauder, A
      Rotational spectra, structure and barrier to internal rotation of N-methylpyrrole and its argon complexes

      MOLECULAR PHYSICS
    60. PRIEM D; COSLEOU J; DEMAISON J; MERKE I; STAHL W; JERZEMBECK W; BURGER H
      ANALYSIS OF THE ROTATIONAL SPECTRA OF SIH3CN AND ITS ISOTOPOMERS - EXPERIMENTAL AND AB-INITIO DETERMINATIONS OF THE DIPOLE-MOMENT AND THE STRUCTURE

      Journal of molecular spectroscopy (Print)
    61. Xu, YJ; Jager, W
      Rotational spectra of NeCO2 isotopomers

      JOURNAL OF MOLECULAR SPECTROSCOPY
    62. HIGGINS K; TAO FM; KLEMPERER W
      THE INTERMOLECULAR POTENTIAL BETWEEN AN INERT-GAS AND A HALOGEN - PREDICTION AND OBSERVATION OF TRANSITIONS BETWEEN THE LINEAR AND T-SHAPEDISOMERS OF HECLF

      The Journal of chemical physics
    63. RIZZO A; RUUD K; HELGAKER T; JASZUNSKI M
      ELECTRIC-FIELD GRADIENT, GENERALIZED STERNHEIMER SHIELDINGS AND ELECTRIC-FIELD GRADIENT POLARIZABILITIES BY MULTICONFIGURATIONAL SCF RESPONSE

      The Journal of chemical physics
    64. LAAKSONEN A; STILBS P; WASYLISHEN RE
      MOLECULAR-MOTION AND SOLVATION OF BENZENE IN WATER, CARBON-TETRACHLORIDE, CARBON-DISULFIDE AND BENZENE - A COMBINED MOLECULAR-DYNAMICS SIMULATION AND NUCLEAR-MAGNETIC-RESONANCE STUDY

      The Journal of chemical physics
    65. JUREK M; SPIRKO V; KRAEMER WP
      EXPECTATION VALUES OF QUASI-BOUND STATES - NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS OF BH IN THE (X)OVER-TILDE(1)SIGMA(-TILDE(1)SIGMA(+) STATES() AND (B)OVER)

      Collection of Czechoslovak Chemical Communications
    66. CAMINATI W; MELANDRI S; MILLEMAGGI A; FAVERO PG
      ROTATIONAL SPECTRUM OF THE IMIDAZOLE-ARGON COMPLEX

      Chemical physics letters
    67. BRADL S; SCHATZ T; LIEGL B; LANG EW
      MULTINUCLEAR HIGH-PRESSURE NMR INVESTIGATIONS OF UNDERCOOLED AQUEOUS-SOLUTIONS OF HYDROPHOBIC IONS

      Berichte der Bunsengesellschaft fur Physikalische Chemie
    68. SCHURKO RW; WASYLISHEN RE; PHILLIPS AD
      A DEFINITIVE EXAMPLE OF AL-27 CHEMICAL SHIELDING ANISOTROPY

      Journal of magnetic resonance [1997]
    69. CAMINATI W; MILLEMAGGI A; FAVERO PG; MAKAREWICZ J
      FREE JET ABSORPTION MILLIMETER-WAVE SPECTRUM AND VAN-DER-WAALS POTENTIAL-ENERGY SURFACE OF THE PYRIDAZINE-ARGON ADDUCT

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    70. EICHELE K; WASYLISHEN RE; NELSON JH
      SOLID-STATE MO-95 NMR-STUDIES OF SOME PROTOTYPAL MOLYBDENUM COMPOUNDS- SODIUM MOLYBDATE DIHYDRATE, HEXACARBONYLMOLYBDENUM, AND PENTACARBONYL PHOSPHINE MOLYBDENUM(0) COMPLEXES

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    71. VAARA J; KASKI J; JOKISAARI J; DIEHL P
      NMR PROPERTIES OF FORMAMIDE - A FIRST PRINCIPLES AND EXPERIMENTAL-STUDY

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    72. CARPER WR; KELLER CE
      DIRECT DETERMINATION OF NMR CORRELATION TIMES FROM SPIN-LATTICE AND SPIN-SPIN RELAXATION-TIMES

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    73. RENTSCH D; HANY R; VONPHILIPSBORN W
      MN-55, (CO)-C-13 AND MN-55, P-31 COUPLING-CONSTANTS OF ORGANOMANGANESE COMPLEXES - COMPARISON OF NMR RESULTS FROM EXPERIMENTS IN SOLUTION AND IN THE SOLID-STATE

      Magnetic resonance in chemistry
    74. NEYENS G; TERNIER S; COULIER N; VYVEY K; COUSSEMENT R; BALABANSKI DL
      INFLUENCE OF PARTICLE-CORE COUPLING ON THE QUADRUPOLE-MOMENT OF 8(-EVEN PO ISOTOPES() ISOMERS IN EVEN)

      Nuclear physics. A
    75. MRACEC M; MRACEC M; KURUNCZI L
      AROMATIC LAMBDA(3)-HETEROCYCLES .3. COMPARISON OF GEOMETRY PREDICTED BY SEMIEMPIRICAL MO CALCULATIONS

      Revue Roumaine de Chimie
    76. CAMINATI W; FAVERO PG; MELANDRI S; MAKAREWICZ J
      FREE JET ABSORPTION MILLIMETER-WAVE SPECTRUM OF THE 2,5-DIHYDROFURAN-ARGON ADDUCT

      Molecular physics
    77. PEEBLES SA; KUCZKOWSKI RL
      AN ELECTROSTATIC INTERACTION-MODEL APPLIED TO COMPLEXES OF SULFUR-DIOXIDE

      Journal of molecular structure
    78. BAUDER A
      MICROWAVE SPECTROSCOPY OF MOLECULAR-COMPLEXES

      Journal of molecular structure
    79. COOKE SA; LEGON AC; HOLLOWAY JH
      PROPERTIES OF A COMPLEX OF CARBON-DIOXIDE AND CHLORINE MONOFLUORIDE FROM ROTATIONAL SPECTROSCOPY - IDENTIFICATION OF AN EXTREMELY WEAK INTERACTION

      Journal of molecular structure
    80. LUDWIG R; WEINHOLD F; FARRAR TC
      THEORETICAL-STUDY OF HYDROGEN-BONDING IN LIQUID AND GASEOUS N-METHYLFORMAMIDE

      The Journal of chemical physics
    81. MARIS A; MELANDRI S; CAMINATI W; FAVERO PG; MAKAREWICZ J
      FREE JET ABSORPTION MILLIMETER-WAVE SPECTRUM AND VAN-DER-WAALS POTENTIAL-ENERGY SURFACE OF THE 2,3-DIHYDROFURAN-ARGON ADDUCT

      The Journal of chemical physics
    82. PREUSSER J; GERRY MCL
      FOURIER-TRANSFORM MICROWAVE-SPECTRUM, STRUCTURE, HARMONIC FORCE-FIELD, AND HYPERFINE CONSTANTS OF SULFUR CHLORIDE FLUORIDE, CLSF

      The Journal of chemical physics
    83. DEOLIVEIRA G; DYKSTRA CE
      THE WEAK INTERACTION POTENTIAL OF AR-H2S

      The Journal of chemical physics
    84. HUBER H; KIRCHNER B; SOLCA J; STEINEBRUNNER G
      AN UNUSUAL BASIS-SET SUPERPOSITION ERROR IN THE ELECTRIC-FIELD GRADIENT OF THE NEON DIMER CALCULATED WITH BOND FUNCTIONS

      Chemical physics letters
    85. BAKHMUTOV VI; BERTRAN J; ESTERUELAS MA; LLEDOS A; MASERAS F; MODREGO J; ORO LA; SOLA E
      DYNAMIC BEHAVIOR IN SOLUTION OF THE TRANS-HYDRIDODIHYDROGEN COMPLEX [OSHCL(ETA(2)-H-2)(CO)(PIPR(3))(2)] - AB-INITIO AND NMR-STUDIES

      Chemistry
    86. BLOEMINK HI; LEGON AC
      THE PRE-REACTIVE COMPLEX OF H2S AND BRCL - OBSERVATION AND CHARACTERIZATION BY ROTATIONAL SPECTROSCOPY

      Chemistry
    87. PAPOUSEK D; PAPOUSKOVA Z; CHONG DP
      DENSITY-FUNCTIONAL COMPUTATIONS OF THE DIPOLE-MOMENT DERIVATIVES FOR HALOGENATED SILANES

      Journal of molecular structure. Theochem
    88. SUN LH; IOANNOU II; KUCZKOWSKI RL
      THE MICROWAVE-SPECTRUM AND STRUCTURE OF THE CARBON-DIOXIDE SULFUR-DIOXIDE COMPLEX

      Molecular physics
    89. BAGNO A; SCORRANO G
      SITE OF IONIZATION OF POLYFUNCTIONAL BASES AND ACIDS .2. AB-INITIO ELECTRIC-FIELD GRADIENTS AT NITROGEN, OXYGEN, PHOSPHORUS, AND SULFUR IN NEUTRAL AND IONIZED FORMS

      Journal of physical chemistry
    90. MARTIN JML; VANALSENOY C
      STRUCTURE AND VIBRATIONAL-SPECTRA OF THE AZABENZENES - A DENSITY-FUNCTIONAL STUDY INCLUDING EXACT EXCHANGE CONTRIBUTIONS

      Journal of physical chemistry
    91. WILSON RJ; KUCZKOWSKI RL
      THE MICROWAVE-SPECTRUM AND STRUCTURE OF FLUOROBENZENE-CENTER-DOT-SULFUR DIOXIDE

      Journal of molecular structure
    92. DOERKSEN RJ; THAKKAR AJ
      POLARIZABILITIES OF HETEROAROMATIC MOLECULES - AZINES REVISITED

      International journal of quantum chemistry
    93. MELANDRI S; MACCAFERRI G; MARIS A; MILLEMAGGI A; CAMINATI W; FAVERO PG
      OBSERVATION OF THE ROTATIONAL SPECTRA OF VAN-DER-WAALS COMPLEXES BY FREE JET ABSORPTION MILLIMETER-WAVE SPECTROSCOPY - PYRIDINE-ARGON

      Chemical physics letters
    94. BLOEMINK HI; HOLLOWAY JH; LEGON AC
      MULLIKEN INNER COMPLEXES [(CH3)(3)NCL](-DOT-CENTER-DOT-CENTER-DOT-F- IN PRE-REACTIVE MIXTURES OF TRIMETHYLAMINE AND CHLORINE MONOFLUORIDE -IDENTIFICATION AND CHARACTERIZATION BY ROTATIONAL SPECTROSCOPY()CENTER)

      Chemical physics letters
    95. FOREST SE; KUCZKOWSKI RL
      THE STRUCTURES OF CYCLOPROPANE-AMINE VAN-DER-WAALS COMPLEXES

      Journal of the American Chemical Society
    96. NXUMALO LM; FORD TA
      AB-INITIO CALCULATIONS OF THE STRUCTURAL, ENERGETIC AND VIBRATIONAL PROPERTIES OF SOME HYDROGEN-BONDED AND VAN-DER-WAALS DIMERS .2. SULFUR-DIOXIDE

      SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
    97. LUDWIG R; ZEIDLER MD
      MOLECULAR-DYNAMICS IN LOWER ALCOHOLS

      Zeitschrift für physikalische Chemie
    98. SAUER SPA; PAIDAROVA I
      CALCULATIONS OF MAGNETIC HYPERFINE-STRUCTURE CONSTANTS FOR THE LOW-LYING ROVIBRATIONAL LEVELS OF LIH, HF, CH+, AND BH

      Chemical physics
    99. UTSUNOMIYATATE N; FUKUMOTO K; MASUKO E; KANSAKU K; HIRAKAWA AY; HAMADA Y; AMATATSU Y
      INFRARED AND RAMAN-SPECTRA OF N-CHLOROETHYLAMINE

      Chemical physics
    100. GREBE J; HARMS G; WELLER F; DEHNICKE K
      REACTIONS OF SILYATED PHOSPHORANE IMINES WITH IODINE MONOCHLORIDE ANDIODINE TRICHLORIDE - THE CRYSTAL-STRUCTURES OF [ME(3)SINPME(3)CENTER-DOT-ICL], [PH(3)PNCL-CENTER-DOT-ICL], AND [ME(3)PN(H)PME(3)][ICL2](2)

      Zeitschrift fur anorganische und allgemeine Chemie


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Documento generato il 12/08/20 alle ore 01:29:59