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La ricerca find articoli where soggetti phrase all words 'REACTION PATHS' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 147 riferimenti
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    1. Lopez, X; York, DM; Dejaegere, A; Karplus, M
      Theoretical studies on the hydrolysis of phosphate diesters in the gas phase, solution, and RNase A

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    2. Wendling, F; Miesch, M
      Unexpected reactivity of acetylenic omega-ketoesters toward TBAF and t-BuOK; New cascade reactions affording allene and oxetane derivatives

      ORGANIC LETTERS
    3. Brigas, AF; Clegg, W; Dillon, CJ; Fonseca, CFC; Johnstone, RAW
      Metal-assisted reactions. Part 29. Structure and hydrogenolysis of C-N bonds in derivatives of aromatic amines. Bond length and electronegativity changes from X-ray crystallographic data

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    4. Quapp, W; Melnikov, V
      Valley ridge inflection points on the potential energy surfaces of H2S, and H2SeH2CO

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    5. Saettel, NJ; Oxgaard, J; Wiest, O
      Pericyclic reactions of radical cations

      EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
    6. Sinicropi, A; Pogni, R; Basosi, R; Robb, MA; Gramlich, G; Nau, WM; Olivucci, M
      Fluorescence quenching by sequential hydrogen, electron, and proton transfer in the proximity of a conical intersection

      ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    7. Nishide, K; Hagimoto, Y; Hasegawa, H; Shiro, M; Node, M
      A novel intramolecular through-space interaction between F and CN: a strategy for the conformational control of an acyclic system

      CHEMICAL COMMUNICATIONS
    8. Gutierrez-Sosa, A; Martinez-Escolano, P; Raza, H; Lindsay, R; Wincott, PL; Thornton, G
      Orientation of carboxylates on TiO2(110)

      SURFACE SCIENCE
    9. Komatsuzaki, T; Berry, RS
      Dynamical hierarchy in transition states: Why and how does a system climb over the mountain?

      PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
    10. Gonzalez, M; Valero, R; Sayos, R
      Ab initio and DFT study of the ground (3)A ' potential energy surface for the O(P-3)+N2O -> 2NO reaction

      CHEMICAL PHYSICS LETTERS
    11. Bretscher, LE; Jenkins, CL; Taylor, KM; DeRider, ML; Raines, RT
      Conformational stability of collagen relies on a stereoelectronic effect

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    12. Bakken, V; Danovich, D; Shaik, S; Schlegel, HB
      A single transition state serves two mechanisms: An ab initio classical trajectory study of the electron transfer and substitution mechanisms in reactions of ketyl radical anions with alkyl halides

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    13. Glynn, P
      Solid-solution solubilities and thermodynamics: Sulfates, carbonates and halides

      SULFATE MINERALS - CRYSTALLOGRAPHY, GEOCHEMISTRY AND ENVIRONMENTAL SIGNIFICANCE
    14. Borowiak, LA; Jamroz, MH; Larsson, R
      Catalytic decomposition of formic acid on oxide catalysts - III. IOM modelapproach to bimolecular mechanism

      JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
    15. Gamsjager, H; Konigsberger, E; Preis, W
      Lippmann diagrams: Theory and application to carbonate systems

      AQUATIC GEOCHEMISTRY
    16. da Silva, AM; Arbilla, G; da Silva, EC
      Theoretical study of the CF2=CH2 -> HF+CF CH reaction

      JOURNAL OF PHYSICAL CHEMISTRY A
    17. Wu, W; Danovich, D; Shurki, A; Shaik, S
      Using valence bond theory to understand electronic excited states: Application to the hidden excited state (2(1)A(g)) of C2nH2n+2 (n=2-14) polyenes

      JOURNAL OF PHYSICAL CHEMISTRY A
    18. Kim, CK; Li, HG; Lee, HW; Sohn, CK; Chun, YI; Lee, I
      Ab initio study of the X-+RCOY displacement reactions with R = H, CH3 and X, Y = Cl, Br

      JOURNAL OF PHYSICAL CHEMISTRY A
    19. Li, MH; Hu, SY; Li, YR; Shen, JZ
      A hierarchical optimization method for reaction path synthesis

      INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
    20. Wang, LQ; Ferris, KF; Herman, GS; Engelhard, MH
      Interaction of HCOOH with stoichiometric and reduced SrTiO3(100) surfaces

      JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS
    21. Komatsuzaki, T; Berry, RS
      Local regularity and non-recrossing path in transition state - a new strategy in chemical reaction theories

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    22. Li, MH; Hu, SY; Li, YR; Shen, JZ
      Reaction path synthesis for a mass closed-cycle system

      COMPUTERS & CHEMICAL ENGINEERING
    23. Wales, DJ; Doye, JPK; Miller, MA; Mortenson, PN; Walsh, TR
      Energy landscapes: From clusters to biomolecules

      ADVANCES IN CHEMICAL PHYSICS, VOLUME 115
    24. Iwaoka, M; Komatsu, H; Tomoda, S
      Structural characteristics of areneselenenyl bromide and areneselenenyl chloride stabilized by hypervalent coordination with a halide anion in the solid state

      JOURNAL OF ORGANOMETALLIC CHEMISTRY
    25. Nudelman, NS; Linares, GEG
      New insights into the chemistry of lithium carbamoyls: Characterization ofan adduct (R2NC(O)CLi(OLi)NR2)

      JOURNAL OF ORGANIC CHEMISTRY
    26. Irle, S; Morokuma, K
      A molecular orbital study on H and H-2 elimination pathways from methane, ethane, and propane

      JOURNAL OF CHEMICAL PHYSICS
    27. Elber, R; Shalloway, D
      Temperature dependent reaction coordinates

      JOURNAL OF CHEMICAL PHYSICS
    28. Chaudhury, P; Bhattacharyya, SP
      Stochastic construction of reaction paths: A genetic algorithm-based approach

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    29. Senda, Y; Kikuchi, N; Inui, A; Itoh, H
      Directive effect of the 2-and 3-axial hydroxy groups that appeared in the complex metal hydride reduction of cyclohexanones

      BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
    30. Lee, I; Kim, CK; Li, HG; Lee, BS; Lee, HW
      Inversion of stationary point levels in a flat transition structure regionon account of vibrational energy

      CHEMICAL PHYSICS LETTERS
    31. Costentin, C; Hapiot, P; Medebielle, M; Saveant, JM
      Investigation of dissociative electron transfer mechanisms and reactivity patterns through kinetic amplification by a chain process

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    32. Costentin, C; Saveant, JM
      Competition between S(N)2 and single electron transfer reactions as a function of steric hindrance illustrated by the model system alkylCl + NO-

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    33. Robb, MA; Bearpark, MJ; Celani, P; Bernardi, F; Olivucci, M
      Theoretical modelling as a possible tool in the design of photochromic systems

      MOLECULAR CRYSTALS AND LIQUID CRYSTALS
    34. Ferretti, V; Bertolasi, V; Gilli, P; Gilli, G
      Mapping of reaction pathways by structure correlation methods. A study of the ligand dissociation reaction in quasi-octahedral Re(v) and Tc(v) oxo-complexes.

      PCCP PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    35. Hirsch, M; Quapp, W; Heidrich, D
      The set of valley-ridge inflection points on the potential energy surface of water

      PCCP PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    36. Chuang, YY; Truhlar, DG
      Geometry optimization with an infinite basis set

      JOURNAL OF PHYSICAL CHEMISTRY A
    37. 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
    38. Toro-Labbe, A
      Characterization of chemical reactions from the profiles of energy, chemical potential and hardness

      JOURNAL OF PHYSICAL CHEMISTRY A
    39. Neurock, M
      First-principles analysis of the hydrogenation of carbon monoxide over palladium

      TOPICS IN CATALYSIS
    40. Roy, RK; Choho, K; De Proft, F; Geerlings, P
      Reactivity and stability of aromatic carbonyl compounds using density functional theory-based local and global reactivity descriptors

      JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    41. Cisternas, LA
      On the synthesis of inorganic chemical and metallurgical processes. Reviewand extension

      MINERALS ENGINEERING
    42. Huo, SH; Straub, JE
      Direct computation of long time processes in peptides and proteins: Reaction path study of the coil-to-helix transition in polyalanine

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    43. Forsythe, KM; Makri, N
      Effects of frequency variation in modes orthogonal to the reaction path oncondensed phase rate constants

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    44. Ball, KD; Berry, RS
      Dynamics on statistical samples of potential energy surfaces

      JOURNAL OF CHEMICAL PHYSICS
    45. Tablero, C; Aguado, A; Paniagua, M
      Global nine-dimensional potential energy surface for the H-5 system. II. Fit to an analytical expression

      JOURNAL OF CHEMICAL PHYSICS
    46. Lewis, DE
      Organizing organic reactions: The importance of antibonding orbitals

      JOURNAL OF CHEMICAL EDUCATION
    47. Garavelli, M; Frabboni, B; Fato, M; Celani, P; Bernardi, F; Robb, MA; Olivucci, M
      Photochemistry of highly alkylated dienes: Computational evidence for a concerted formation of bicyclobutane

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    48. JENSEN F
      STATIONARY-POINTS ON THE H2CO POTENTIAL-ENERGY SURFACE - DEPENDENCE ON THEORETICAL LEVEL

      Theoretical Chemistry accounts ( Theoretical Chemistry accounts (Print))
    49. Quapp, W; Hirsch, M; Heidrich, D
      Bifurcation of reaction pathways: the set of valley ridge inflection points of a simple three-dimensional potential energy surface

      THEORETICAL CHEMISTRY ACCOUNTS
    50. Eckert, F; Werner, HJ
      Reaction path following by quadratic steepest descent

      THEORETICAL CHEMISTRY ACCOUNTS
    51. ROY RK; KRISHNAMURTI S; GEERLINGS P; PAL S
      LOCAL SOFTNESS AND HARDNESS BASED REACTIVITY DESCRIPTORS FOR PREDICTING INTRA-MOLECULAR AND INTERMOLECULAR REACTIVITY SEQUENCES - CARBONYL-COMPOUNDS

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    52. GONZALEZLAFONT A; VILLA J; LLUCH JM; BERTRAN J; STECKLER R; TRUHLAR DG
      VARIATIONAL TRANSITION-STATE THEORY AND TUNNELING CALCULATIONS WITH REORIENTATION OF THE GENERALIZED TRANSITION-STATES FOR METHYL CATION TRANSFER

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    53. JURSIC BS
      REACTIVITY-SELECTIVITY PRINCIPLE IN SUBSTITUTED CYCLOBUTENE RING-OPENING COMPUTED WITH DENSITY-FUNCTIONAL THEORY METHODS

      Journal of molecular structure. Theochem
    54. ZHENG YJ; ORNSTEIN RL
      THEORETICAL-STUDY OF A NUCLEOPHILIC-ADDITION REACTION IN THE GAS-PHASE AND IN AQUEOUS-SOLUTION - PEPTIDE-BOND HYDROLYSIS

      Journal of molecular structure. Theochem
    55. JUNIOR SD; KUHNEN CA; BRIGHENTE ICM; YUNES RA
      THEORETICAL-STUDY OF ELECTRONIC AND STERIC EFFECTS IN THE DEHYDRATIONSTEP OF NORCANPHOR AND SUBSTITUTED NORCANPHOR

      Journal of molecular structure. Theochem
    56. AHRACH M; SCHNEIDER R; GERARDIN P; LOUBINOUX B
      CONCERNING THE DIASTEREOFACIAL SELECTIVITY OF THE REACTION OF (E)-BETA-NITROENONES WITH KETONE ENOLATES

      Tetrahedron
    57. KRYGOWSKI TM; GRABOWSKI SJ; KONARSKI J
      WATER-MOLECULES AS A GLUING FACTOR IN ORGANIC-CRYSTALS AND BIOLOGICAL-SYSTEMS

      Tetrahedron
    58. THEVUTHASAN S; HERMAN GS; KIM YJ; CHAMBERS SA; PEDEN CHF; WANG Z; YNZUNZA RX; TOBER ED; MORAIS J; FADLEY CS
      THE STRUCTURE OF FORMATE ON TIO2(110) BY SCANNED-ENERGY AND SCANNED-ANGLE PHOTOELECTRON DIFFRACTION

      Surface science
    59. AYERBE M; ARRIETA A; COSSIO FP; LINDEN A
      STEREOCONTROLLED SYNTHESIS OF HIGHLY SUBSTITUTED PROLINE ESTERS VIA [3-METALATED AZOMETHINE YLIDES AND NITROALKENES - ORIGINS OF THE METAL EFFECT ON THE STEREOCHEMICAL OUTCOME(2]CYCLOADDITION BETWEEN N)

      Journal of organic chemistry
    60. MARCANTONI E; CINGOLANI S; BARTOLI G; BOSCO M; SAMBRI L
      EFFICIENT DIASTEREOSELECTIVE SYNTHESIS OF ERYTHRO-ALPHA-ALKYL-BETA-HYDROXY OR THREO-ALPHA-ALKYL-BETA-HYDROXY SULFONES BY REDUCTIONS OF ALPHA-ALKYL-BETA-KETO SULFONES WITH TICL4 BH3 OR LIE3BH/CECL3, RESPECTIVELY/

      Journal of organic chemistry
    61. LOERTING T; LIEDL KR; RODE BM
      PREDICTIONS OF RATE CONSTANTS AND ESTIMATES FOR TUNNELING SPLITTINGS OF CONCERTED PROTON-TRANSFER IN SMALL CYCLIC WATER CLUSTERS

      The Journal of chemical physics
    62. CSAJKA FS; CHANDLER D
      TRANSITION PATHWAYS IN A MANY-BODY SYSTEM - APPLICATION TO HYDROGEN-BOND BREAKING IN WATER

      The Journal of chemical physics
    63. COSSI M; BARONE V
      ANALYTICAL 2ND DERIVATIVES OF THE FREE-ENERGY IN SOLUTION BY POLARIZABLE CONTINUUM MODELS

      The Journal of chemical physics
    64. WOLFE S; KIM CK; YANG KY; WEINBERG N; SHI Z
      TRANSVERSE COMPRESSION AND THE SECONDARY H D ISOTOPE EFFECTS IN INTRAMOLECULAR S(N)2 METHYL-TRANSFER REACTIONS (VOL 76, PG 102, 1998)/

      Canadian journal of chemistry
    65. WOLFE S; KIM CK; YANG KY; WEINBERG N; SHI Z
      TRANSVERSE COMPRESSION AND THE SECONDARY H D ISOTOPE EFFECTS IN INTRAMOLECULAR S(N)2 METHYL-TRANSFER REACTIONS/

      Canadian journal of chemistry
    66. den Otter, WK; Briels, WJ
      Solvent effect on the isomerization rate of calix[4]arene studied by molecular dynamics simulations

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    67. HOLIASTOS K; MANOUSIOUTHAKIS V
      AUTOMATIC SYNTHESIS OF THERMODYNAMICALLY FEASIBLE REACTION CLUSTERS

      AIChE journal
    68. HENDERSON MA
      COMPLEXITY IN THE DECOMPOSITION OF FORMIC-ACID ON THE TIO2(110) SURFACE

      JOURNAL OF PHYSICAL CHEMISTRY B
    69. LEE I; LEE D; KIM CK
      THEORETICAL-STUDIES OF STRUCTURAL EFFECTS ON THE MECHANISM OF ACYL-TRANSFER REACTIONS

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    70. AHDJOUDJ J; MINOT C
      A THEORETICAL-STUDY OF HCO2H ADSORPTION ON TIO2(110)

      Catalysis letters
    71. BERNARDI F; OLIVUCCI M; ROBB MA
      THE ROLE OF CONICAL INTERSECTIONS AND EXCITED-STATE REACTION PATHS INPHOTOCHEMICAL PERICYCLIC-REACTIONS

      Journal of photochemistry and photobiology. A, Chemistry
    72. CHAKRABARTI P; PAL D
      AN ELECTROPHILE-NUCLEOPHILE INTERACTION IN METALLOPROTEIN STRUCTURES

      Protein science
    73. MEALLI C; IENCO A; HOYT EB; ZOELLNER RW
      A COMPREHENSIVE QUALITATIVE AND QUANTITATIVE MOLECULAR-ORBITAL ANALYSIS OF THE FACTORS GOVERNING THE DICHOTOMY IN THE DINORCARADIENE-REVERSIBLE-ARROW-1,6-METHANOL[10] ANNULENE SYSTEM

      Chemistry
    74. LECEA B; ARRIETA A; MORAO I; COSSIO FP
      AB-INITIO MODELS FOR THE NITROALDOL (HENRY) REACTION

      Chemistry
    75. DIAZ JF; WROBLOWSKI B; SCHLITTER J; ENGELBORGHS Y
      CALCULATION OF PATHWAYS FOR THE CONFORMATIONAL TRANSITION BETWEEN THEGTP-BOUND AND GDP-BOUND STATES OF THE HA-RAS-P21 PROTEIN - CALCULATIONS WITH EXPLICIT SOLVENT SIMULATIONS AND COMPARISON WITH CALCULATIONS IN VACUUM

      Proteins
    76. LUSVARDI VS; PIERCE KG; BARTEAU MA
      STEADY-STATE CATALYTIC C-C BOND FORMATION ON REDUCED TIO2 SURFACES

      Journal of vacuum science & technology. A. Vacuum, surfaces, and films
    77. ALVES JAC; BARKLEY JV; BRIGAS AF; JOHNSTONE RAW
      METAL-ASSISTED REACTIONS .26. CATALYTIC REACTIVITY AND ETHER BOND LENGTHS IN ARYLOXYTETRAZOLES AND ARYLOXYPSEUDOSACCHARINS

      Perkin transactions. 2
    78. BEUTER M; KOLB U; ZICKGRAF A; BRAU E; BLETZ M; DRAGER M
      HETEROCYCLIC-SYSTEMS CONTAINING TIN(IV)-XIII .1. POSSIBLE CEASING OR INVERSION OF THE STRUCTURAL TRANS INFLUENCE DURING THE COURSE OF A BIMOLECULAR NUCLEOPHILIC-ATTACK OF A DONOR GROUP IN A SERIES OF SN-IV RINGS

      Polyhedron
    79. WROBLOWSKI B; DIAZ JF; SCHLITTER J; ENGELBORGHS Y
      MODELING PATHWAYS OF ALPHA-CHYMOTRYPSIN ACTIVATION AND DEACTIVATION

      Protein engineering
    80. ZHENG SJ; MENG LP; CAI XH; XU ZF; FU XY
      TOPOLOGICAL STUDIES ON IRC PATHS OF X-2-]XH+H REACTIONS(H)

      Journal of computational chemistry
    81. PENDAS AM; COSTALES A; LUANA V
      IONS IN CRYSTALS - THE TOPOLOGY OF THE ELECTRON-DENSITY IN IONIC MATERIALS .1. FUNDAMENTALS

      Physical review. B, Condensed matter
    82. BAKULEV VA; BIRYUCHEVA NY; PICHKO VA
      INVESTIGATION OF 1-HETEROBUTADIENYL KETEN E HETEROCYCLIZATION MECHANISM USING THE MINDO 3, MNDO AND AM1 METHODS/

      Himia geterocikliceskih soedinenij
    83. BUXTON A; LIVINGSTON AG; PISTIKOPOULOS EN
      REACTION-PATH SYNTHESIS FOR ENVIRONMENTAL-IMPACT MINIMIZATION

      Computers & chemical engineering
    84. MASH EA; NIMKAR KS; BARON JA
      DIASTEREOSELECTIVE MANIPULATIONS OF BICYCLO[M.1.0]ALKANE DERIVATIVES .3. NUCLEOPHILIC ADDITIONS TO THE CARBONYL CARBON OF (1R,8R)-BICYCLO[6.1.0]NONAN-2,6-DIONE 2-(2S,3S)-1,4-DI-O-METHYL-1,2,3,4-BUTANETETROL KETAL

      Tetrahedron
    85. WANG LQ; FERRIS KF; SHULTZ AN; BAER DR; ENGELHARD MH
      INTERACTIONS OF HCOOH WITH STOICHIOMETRIC AND DEFECTIVE TIO2(110) SURFACES

      Surface science
    86. MASH EA; GREGG TM; STAHL MT
      DEVELOPMENT OF MOLECULAR MECHANICS TORSION PARAMETERS FOR ALPHA,BETA-CYCLOPROPYL ALPHA',BETA'-ENONES AND CONFORMATIONAL-ANALYSIS OF BICYCLO[M.1.0]ALK-3-EN-2-ONES

      Journal of organic chemistry
    87. DENOTTER WK; BRIELS WJ
      THE REACTIVE FLUX METHOD APPLIED TO COMPLEX ISOMERIZATION-REACTIONS -USING THE UNSTABLE NORMAL-MODE AS A REACTION COORDINATE

      The Journal of chemical physics
    88. YAMAMOTO H; WATANABE N; WADA A; DOMEN K; HIROSE C
      ADSORPTION AND DECOMPOSITION OF FORMIC-ACID ON MGO(001) SURFACE AS INVESTIGATED BY TEMPERATURE-PROGRAMMED DESORPTION AND SUM-FREQUENCY GENERATION SPECTROSCOPY - RECURRENCE INDUCED DEFECT SITES

      The Journal of chemical physics
    89. ZIMPEL Z; MEZEY PG
      MOLECULAR-GEOMETRY AND SYMMETRY FROM A DIFFERENTIAL GEOMETRY VIEWPOINT

      International journal of quantum chemistry
    90. ELTAHER S
      A THEORETICAL-STUDY OF MALONONITRILE ADDITION TO CARBONYL-COMPOUNDS

      International journal of quantum chemistry
    91. BOATZ JA
      BOLD-STRETCH ISOMERISM IN TETRASILABICYCLO[1.1.0]BUTANE DERIVATIVES

      Organometallics
    92. MOC J; NGUYEN KA; GORDON MS
      ISOMERS ON THE SI2CH4-ENERGY SURFACE( POTENTIAL)

      Organometallics
    93. JACOBY E; KRUGER P; SCHLITTER J; ROPER D; WOLLMER A
      SIMULATION OF A COMPLEX PROTEIN STRUCTURAL-CHANGE - THE T[--]R TRANSITION IN THE INSULIN HEXAMER

      Protein engineering
    94. RICO JF; AGUADO A; PANIAGUA M
      SEARCHING CRITICAL-POINTS OF FITTED POTENTIAL-ENERGY SURFACES

      Journal of molecular structure. Theochem
    95. MEZEY PG
      THEOREMS ON MOLECULAR SHAPE-SIMILARITY DESCRIPTORS - EXTERNAL T-PLASTERS AND INTERIOR T-AGGREGATES

      Journal of chemical information and computer sciences
    96. ARRASTIA I; LECEA B; COSSIO FP
      HIGHLY STEREOCONTROLLED SYNTHESIS OF SUBSTITUTED PROPIOLACTONES AND BUTYROLACTONES FROM ACHIRAL LITHIUM ENOLATES AND HOMOCHIRAL ALDEHYDES

      Tetrahedron letters
    97. VILLA J; GONZALEZLAFONT A; LLUCH JM; BERTRAN J
      ON THE INTERPOLATION OF THE FREQUENCIES OF VIBRATIONAL-MODES IN VARIATIONAL TRANSITION-STATE CALCULATIONS - AN ADIABATIC OR DIABATIC SCHEME

      Molecular physics
    98. DOUBLEDAY C
      LIFETIME OF TRIMETHYLENE CALCULATED BY VARIATIONAL UNIMOLECULAR RATE THEORY

      Journal of physical chemistry
    99. OKAMOTO I; OHWADA T; SHUDO K
      ORBITAL UNSYMMETRIZATION AFFECTS FACIAL SELECTIVITIES OF DIELS-ALDER DIENOPHILES

      Journal of organic chemistry
    100. MASH EA; GREGG TM; STAHL MT; WALTERS WP
      DEVELOPMENT OF MOLECULAR MECHANICS TORSION PARAMETERS FOR ALPHA,BETA-CYCLOPROPYL KETONES AND CONFORMATIONAL-ANALYSIS OF BICYCLO[M.1.0]ALKAN-2-ONES

      Journal of organic chemistry


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Documento generato il 14/08/20 alle ore 10:28:47