CROCHET HANINE PDF

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Electronic and geometrical structure of dialuminoxane, diboroxane and their sulfur analogs: A general property of the quantum-mechanical Hamiltonians for constrained systemsCrpchet. A weak-mode representation of floppy molecules. Favoring the Cis isomer in d 2 octahedral dioxo complexes: Memory kernels crlchet effective Hamiltonians from time dependent methods I. Predissociation with a curve crossingJ. Quantum-mechanical description of rigidly or adiabatically constrained molecular systemsJ.

Coupling of methylene and dihydrogen ligands in d 6 octahedral complexes.

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An Ab initio theoretical study, J. Soc, DFT study of the role of bridging diphosphine ligands on the structure and the internal rotation in quadruply bonded metal dimers of Mo2Cl4 P-P 2 type, Inorg.

Quantum-Mechanical statistical theories for chemical reactivity.

Constrasting behavior of tetracene and perylene in Collision-Induced dissociation: Spectrum, 34, Base-specific photocleavage of DNA induced by pazelliptine sensitization: Effective atomic charges in alanine dipeptide, J. Non-adiabatic wave packet dynamics for charge haninf processes in ion-atom collisions, J. A,19 Theochem, Comparison with Na NH3 2, Chem. Spectral properties and redox potentials of silver atoms complexed by chloride ions in aqueous solution, J. B, B,38 The distortivity of p-electrons and its chemical manisfestations, Chem.

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A, 63, – An ab initio theoretical study, J. A Model hnaine initio Study, J. Application to optically excited methylene blue – guanine complex in water. Mechanism of Xenon pseudorotation, Chem.

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Is this Theory Coming of Age? A description free of the classical paradoxes. B, Desouter-Lecomte Cumulative isomerization probability by various transition state wave packet methods including the MCTDH algorithm. What role do Ionic Configurations play in delocalization and induction of magnetic properties?