Keywords: پیوند دی هیدروژن; Metallacarborane; Amphiphilic; Vesicles; Micelles; Dihydrogen bond; Cobaltabisdicarbollide;
مقالات ISI پیوند دی هیدروژن (ترجمه نشده)
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DFT investigation on the decomposition of dihydrogen-bonded methylamine-borane octamer
Keywords: پیوند دی هیدروژن; Ammonia-borane; Dihydrogen bond; NMR parameters; Thermal decomposition; Hydrogen storage material;
Theoretical study of intermolecular interactions in FHâ¯C4B2H6â¯X clusters (X = H2O, CH3OH, NH3, O2, N2, HCN, CO, NO and CO2)
Keywords: پیوند دی هیدروژن; Hydrogen bond; Dihydrogen bond; nido-C4B2H6; Carborane; Diminutive effects;
New insights into the reaction capabilities of His195 adjacent to the active site of nitrogenase
Keywords: پیوند دی هیدروژن; Nitrogenase; Mechanism; Density functional calculations; Hydrogen bond; Dihydrogen bond; FeMo-co;
Theoretical study of intermolecular interactions in CB4H8–HOX (X = F, Cl, Br, I) complexes
Keywords: پیوند دی هیدروژن; Hypohalous acids; Carborane; CB4H8; Molecular interactions; Hydrogen bond; Dihydrogen bond
Mutual interplay between pnicogen bond and dihydrogen bond in HMHâ¯HCNâ¯PH2X complexes (M = Be, Mg, Zn; X = H, F, Cl)
Keywords: پیوند دی هیدروژن; Pnicogen bond; Dihydrogen bond; Cooperativity; Electrostatic potential; Ab initio;
A B3LYP and MP2 theoretical investigation on the cooperativity effect between the XHâ¯HM (X = F, Cl, Br; M = Li, Na, K) dihydrogen-bonding and HMâ¯Ï interactions involving C6H6
Keywords: پیوند دی هیدروژن; Cooperativity effect; Dihydrogen bond; HMâ¯Ï interaction; Surface electrostatic potential; MP2(full);
Competition between dihydrogen bond and beryllium bond in complexes between HBeH and HArF: A huge blue shift of distant HAr stretch
Keywords: پیوند دی هیدروژن; Beryllium bond; Dihydrogen bond; Blue shift; Substitution effect; HArF
The structural characterization of (NH4)2B10H10 and thermal decomposition studies of (NH4)2B10H10 and (NH4)2B12H12
Keywords: پیوند دی هیدروژن; Dihydrogen bond; (NH4)2B10H10; (NH4)2B12H12; STMBMS; H2; NH3STMBMS, simultaneous thermal modulated beam mass spectroscopy; LTR, low temperature region; ITR, intermediate temperature region; HTR, high temperature region; LCC, low confinement condition; ICC
Delocalization indices for non-covalent interaction: Hydrogen and DiHydrogen bond
Keywords: پیوند دی هیدروژن; Hydrogen bond; Dihydrogen bond; Delocalization indices; QTAIM theory; Covalent character;
The novel 1D chain and 3D network of mercury carborane-diphenylphosphine complexes constructed by covalent bond or hydrogen bond interactions
Keywords: پیوند دی هیدروژن; Mercury; Carborane-diphenylphosphine complexes; Crystal structure; Dihydrogen bond;
Intramolecular dihydrogen bond: A new perspective in Lewis acid catalyzed nucleophilic epoxide ring opening reaction
Keywords: پیوند دی هیدروژن; Dihydrogen bond; Epoxide ring opening; Frustrated Lewis pairs; Hydrogen elimination; Storage;
Properties of halogen bonds in FArCCX···HMY (X = Cl and Br; M = Be and Mg; Y = H, F, and CH3) complexes: An ab initio and topological analysis
Keywords: پیوند دی هیدروژن; Halogen-hydride halogen bond; Noble atom; AIM; Dihydrogen bond; Theoretical calculations;
Time-dependent density functional theory study of the excited-state dihydrogen bond O–H⋯H–Si
Keywords: پیوند دی هیدروژن; Dihydrogen bond; Infrared spectra; Electronically excited state; Time-dependent density functional theory
Theoretical study of N-Hâ¯H-B blue-shifted dihydrogen bond
Keywords: پیوند دی هیدروژن; Blue-shifted hydrogen bond; Dihydrogen bond; Hyperconjugation; Rehybridization; Electron density redistribution; Structural reorganization;
Wide spectrum of Hâ¯H interactions: van der Waals contacts, dihydrogen bonds and covalency
Keywords: پیوند دی هیدروژن; Hydrogen bond; Dihydrogen bond; Hâ¯H interaction; The Bader theory; MP2 method; Interaction energy components;
Some ruthenium hydride, dihydrogen, and dihydrogen-bonded complexes in catalytic reactions
Keywords: پیوند دی هیدروژن; Hydride; Dihydrogen complexes; Dihydrogen bond; Ruthenium; Heterolytic cleavage; Catalysis
A boron–boron linked large metallacarborane cluster: Characterization and X-ray structure of 8,9′-[closo-{3-Co(η5-C5H5)-1,2-C2B9H10}]2
Keywords: پیوند دی هیدروژن; Cobaltacarborane; B–B linkage; DHB; Dihydrogen bond
Theoretical investigation of the weakly dihydrogen bonded dimers H2 â nXnAlHâ¯HArF and H2 â nXnAlHâ¯HKrF (n = 0-2; X = F, Cl)
Keywords: پیوند دی هیدروژن; Dihydrogen bond; Weak interaction; Ab initio;
Non-convertional hydrogen bonding interaction of BH3NH3 complexes: a comparative theoretical study
Keywords: پیوند دی هیدروژن; Ab initio; DFT; Dihydrogen bond; BH3NH3 complexes;