UNT 发表于 2025-3-30 10:39:33
Structure and Properties of Free-Radicals. A Theoretical Contribution,c properties of these species. In part II, we shall compare these results to the theoretical ones. In this way, we shall try to explain the main properties of free-radicals by considering their electronic structure. We shall particularly be concerned with carbon-centered radicals.本能 发表于 2025-3-30 14:19:47
Theoretical Aspects of Small Molecule Rydberg Photochemistry,itale and states to correlation diagrams. It will also permit predicting which reaction surfaces can be correlatively treated at the SCF level, or if configuration interaction (CI) is correlatively required, what will be the major configurational composition of the CI wave function.fetter 发表于 2025-3-30 19:00:58
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Conference proceedings 1981ree it is noticable from the content of this volume. This book contains 20 contributions. The first contribution is an Introduc tion chapter in which the initiated experimental chemists are briefed about the subject matter. The last chapter describes very briefly the "Computational Laboratory" thatAlienated 发表于 2025-3-31 16:13:48
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1389-2185 r in which the initiated experimental chemists are briefed about the subject matter. The last chapter describes very briefly the "Computational Laboratory" that978-94-009-8474-5978-94-009-8472-1Series ISSN 1389-2185