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La ricerca find articoli where authors phrase all words ' Karpfen, A' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 33 riferimenti
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    1. Kim, KY; Lee, HJ; Karpfen, A; Park, J; Yoon, CJ; Choi, YS
      Theoretical and experimental approaches to evaluate the intermolecular hydrogen-bonding ability of tertiary amides

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    2. Karpfen, A
      Charge-transfer complexes between the amines (CH3)(n)NH3-n (n=0-3) and theClF molecule: An ab initio and density functional study on the intermolecular interaction

      JOURNAL OF PHYSICAL CHEMISTRY A
    3. Koll, A; Melikova, SM; Karpfen, A; Wolschann, P
      Spectroscopic and structural consequences of intramolecular hydrogen bond formation in ortho-dimethylaminomethylphenol

      JOURNAL OF MOLECULAR STRUCTURE
    4. Choi, KH; Lii, HJ; Karpfen, A; Yoon, CJ; Park, J; Choi, YS
      Hydrogen-bonding interaction of methyl-substituted pyridines with thioacetamide: steric hindrance of methyl group

      CHEMICAL PHYSICS LETTERS
    5. Karpfen, A
      Charge-transfer complexes between NH3 and the halogens F-2, ClF, and Cl-2:An ab initio study on the intermolecular interaction

      JOURNAL OF PHYSICAL CHEMISTRY A
    6. Melikova, SM; Koll, A; Karpfen, A; Wolschann, P
      Influence of hydrogen bonding on the conformation of ortho-aminomethylphenol

      JOURNAL OF MOLECULAR STRUCTURE
    7. Karpfen, A
      The intermolecular interaction in the charge-transfer complex between NH3 and F-2. A subtle case

      CHEMICAL PHYSICS LETTERS
    8. Karpfen, A
      The dimer of acetylene and the dimer of diacetylene: A floppy and a very floppy molecule

      JOURNAL OF PHYSICAL CHEMISTRY A
    9. Karpfen, A
      Torsional potentials of perfluoro-1,3-butadiene and perfluoro-1,3,5-hexatriene: A comparison of ab initio and density functional results

      JOURNAL OF PHYSICAL CHEMISTRY A
    10. Karpfen, A
      The dimer of cyanodiacetylene: Stacking vs. hydrogen bonding

      MONATSHEFTE FUR CHEMIE
    11. Karpfen, A
      The intermolecular interaction between amines and F-2. An ab initio study

      CHEMICAL PHYSICS LETTERS
    12. KARPFEN A
      AB-INITIO STUDIES ON CYANOACETYLENE OLIGOMERS - RINGS AND CHAINS VERSUS STACKED CLUSTERS

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    13. ALEMAN C; DOMINGO VM; FAJARI L; JULIA L; KARPFEN A
      MOLECULAR AND ELECTRONIC-STRUCTURES OF HETEROAROMATIC OLIGOMERS - MODEL COMPOUNDS OF POLYMERS WITH QUANTUM-WELL STRUCTURES

      Journal of organic chemistry
    14. BARNES AJ; KARPFEN A; KOHLER G
      HORIZONS-IN-HYDROGEN-BOND-RESEARCH 1997 - PROCEEDINGS OF THE XIITH INTERNATIONAL WORKSHOP HORIZONS-IN-HYDROGEN-BOND-RESEARCH, NIEDEROBLARN,AUSTRIA, 21-26 SEPTEMBER, 1997 - PREFACE

      Journal of molecular structure
    15. LAMPERT H; MIKENDA W; KARPFEN A; KAHLIG H
      NMR SHIELDINGS IN BENZOYL AND 2-HYDROXYBENZOYL COMPOUNDS - EXPERIMENTAL VERSUS GIAO CALCULATED DATA

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    16. KARPFEN A; CHOI CH; KERTESZ M
      SINGLE-BOND TORSIONAL POTENTIALS IN CONJUGATED SYSTEMS - A COMPARISONOF AB-INITIO AND DENSITY-FUNCTIONAL RESULTS

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    17. LAMPERT H; MIKENDA W; KARPFEN A
      MOLECULAR GEOMETRIES AND VIBRATIONAL-SPECTRA OF PHENOL, BENZALDEHYDE,AND SALICYLALDEHYDE - EXPERIMENTAL VERSUS QUANTUM-CHEMICAL DATA

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    18. CHOI CH; KERTESZ M; KARPFEN A
      THE EFFECTS OF ELECTRON CORRELATION ON THE DEGREE OF BOND ALTERNATIONAND ELECTRONIC-STRUCTURE OF OLIGOMERS OF POLYACETYLENE

      The Journal of chemical physics
    19. CHOI CH; KERTESZ M; KARPFEN A
      LIMITATIONS OF CURRENT-DENSITY FUNCTIONAL THEORIES FOR THE DESCRIPTION OF PARTIAL PI-BOND BREAKING

      Chemical physics letters
    20. CHOI CH; KERTESZ M; KARPFEN A
      DO LOCALIZED STRUCTURES OF [14]ANNULENE AND [18]ANNULENE EXIST

      Journal of the American Chemical Society
    21. KARPFEN A
      LINEAR AND CYCLIC CLUSTERS OF HYDROGEN-CYANIDE AND CYANOACETYLENE - ACOMPARATIVE AB-INITIO AND DENSITY-FUNCTIONAL STUDY ON COOPERATIVE HYDROGEN-BONDING

      Journal of physical chemistry
    22. LAMPERT H; MIKENDA W; KARPFEN A
      INTRAMOLECULAR HYDROGEN-BONDING IN 2-HYDROXYBENZOYL COMPOUNDS - INFRARED-SPECTRA AND QUANTUM-CHEMICAL CALCULATIONS

      Journal of physical chemistry
    23. EHRENDORFER C; KARPFEN A
      THEORETICAL INVESTIGATIONS ON POSITIVE BIPOLARONIC DEFECTS IN OLIGOTHIOPHENES - STRUCTURES AND VIBRATIONAL-SPECTRA OF DOUBLY-CHARGED 2,2'-BITHIOPHENE AND 2,2' 5',''2-TERTHIOPHENE/

      Vibrational spectroscopy
    24. EHRENDORFER C; KARPFEN A
      SHORTER BIPOLARONS IN OLIGO(P-PHENYLS) AND IN POLY(P-PHENYLENE) - AN AB-INITIO SCF STUDY

      Journal of physical chemistry
    25. EHRENDORFER C; KARPFEN A
      THEORETICAL VIBRATIONAL-SPECTRA OF A BIPOLARONIC DEFECT IN OLIGOTHIOPHENES AND IN POLYTHIOPHENE - A COMBINED SEMIEMPIRICAL AND AB-INITIO STUDY

      Journal of physical chemistry
    26. EHRENDORFER C; KARPFEN A
      TRENDS IN THE C-C FORCE-CONSTANTS IN OLIGOTHIOPHENES - A QUANTUM-CHEMICAL STUDY

      Journal of molecular structure
    27. KARPFEN A; YANOVITSKII O
      COOPERATIVITY IN HYDROGEN-BONDED CLUSTERS - AN IMPROVED AB-INITIO SCFSTUDY ON THE STRUCTURE AND ENERGETICS OF NEUTRAL, PROTONATED AND DEPROTONATED CHAINS AND OF NEUTRAL, CYCLIC HYDROGEN-FLUORIDE OLIGOMERS

      Journal of molecular structure. Theochem
    28. KARPFEN A; YANOVITSKII O
      STRUCTURE AND VIBRATIONAL-SPECTRA OF NEUTRAL, PROTONATED AND DEPROTONATED HYDROGEN-BONDED POLYMERS - AN AB-INITIO SCF STUDY ON CHAIN-LIKE HYDROGEN-FLUORIDE CLUSTERS

      Journal of molecular structure. Theochem
    29. EHRENDORFER C; KARPFEN A
      AB-INITIO STUDIES ON (CH2)N BRIDGED BITHIOPHENES .1. STRUCTURE AND VIBRATIONAL-SPECTRA OF CYCLOPENTABITHIOPHENE AND DIHYDROBENZOBITHIOPHENE

      Journal of molecular structure. Theochem
    30. EHRENDORFER C; KARPFEN A
      AB-INITIO STUDIES ON (CH2)N BRIDGED BITHIOPHENES .2. STRUCTURE AND VIBRATIONAL-SPECTRA OF CYCLOHEPTABITHIOPHENE

      Journal of molecular structure. Theochem
    31. EHRENDORFER C; KARPFEN A
      SPATIAL EXTENSION OF A BIPOLARONIC DEFECT IN OLIGOTHIOPHENES AND IN POLYTHIOPHENE - A COMBINED SEMIEMPIRICAL AND AB-INITIO STUDY

      Journal of physical chemistry
    32. GOMEZ PC; BUNKER PR; KARPFEN A; LISCHKA H
      AN AB-INITIO CALCULATION OF THE LOW-FREQUENCY VIBRATIONAL ENERGIES OFTHE HCL DIMER

      Journal of molecular spectroscopy
    33. EHRENDORFER C; KARPFEN A; BAUERLE P; NEUGEBAUER H; NECKEL A
      VIBRATIONAL-SPECTRA OF END-CAPPED THIOPHENES - A COMBINED EXPERIMENTAL AND THEORETICAL-STUDY

      Journal of molecular structure


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 28/10/20 alle ore 08:07:14