Osteoporosis
发表于 2025-3-25 06:52:43
,Potential Energy Surface and the Rates of the Reaction OH + OH → H2O + O,e ab initio computations, the bimolecular rate constants have been evaluated from the conventional transition state theory. The results obtained in the temperature range 300-2000 K are found to be in good agreement with the experimental data which apparently exhibit a strong non-Arrhenius behavior.
易于出错
发表于 2025-3-25 11:08:16
An Aspect of Electron Delocalization in Chemical Reactions,n chemical interactions and, therefore, the resultant interacting orbitals look very different from the canonical molecular orbitals in sizable molecules. A possible meaning of the localized interacting orbitals is discussed in relation to the principle of maximum overlaps in intermolecular interactions.
大酒杯
发表于 2025-3-25 14:24:28
Multi-References Cluster Expansion Theory and an Interaction of Hydrogen Molecule with Palladium, to investigate the states involved. For the Pd-H. system a triangular adduct form is a stable geometry. From the study of the Pd.-H. system, the equilibrium between molecular hydrogen and atomic hydrogens . is shown to occur very smoothly on the metal surface.
RADE
发表于 2025-3-25 17:33:46
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Catheter
发表于 2025-3-25 22:41:30
https://doi.org/10.1007/978-94-009-4746-7bonding; chemical bond; chemical reaction; metals; physical chemistry; quantum chemistry; structure; theore
Generator
发表于 2025-3-26 03:47:27
978-94-010-8609-7D. Reidel Publishing Company, Dordrecht, Holland 1986
Munificent
发表于 2025-3-26 05:16:41
N. H. Seemayer,W. Hadnagy,R. TomingasA scientific biography of K. Fukui as one of the inquirers into the “chemical reaction” is presented in the form of a narrative story. The emphasis is placed on the circumstances of developments and applications of the frontier orbital concept and the intrinsic reaction coordinate approach.
热情的我
发表于 2025-3-26 10:44:22
J. A. DiPaolo,N. C. Popescu,C. D. WoodworthSince molecules may be regarded either as geometrical or as topological objects the interdependence of classical molecular conformational analysis and potential energy surface topology is sought in the case of a selected few saturated organic molecules
雄伟
发表于 2025-3-26 16:36:06
Environmental Impact Assessment in CanadaThe protonic counterpart of electronegativity which we recently proposed as an organizing principle for. gas-phase acidity and basicity is presented here in terms of a hardness matrix related to second derivatives of the energy. Energy differences are expressed in terms of electronic and/or protonic chemical potential means.
名词
发表于 2025-3-26 18:17:42
W. J. Couch,J. F. Herity,R. E. MunnThe potential energy curve of HNO (Ã .A″) has been calculated in terms of a minimal basis set (STO 3G) by means of MCSCF (CAS SCF). The geometries were optimized along the reaction path, i.e. H + NO → HNO. There is a region in which the bond length ℓ(NO) and the bond angle θ(HN0) change suddenly.