A new method for calculation of rotational barrier and interaction energies is proposed based on introduction of hybrid atomic orbitals in ab-initio calculations

MODEL-CALCULATIONS OF CHEMICAL INTERACTIONS .1. INTRAMOLECULAR INTERACTIONS AND ROTATIONAL BARRIERS / Rastelli, A; Cocchi, Marina; Schiatti, E.. - In: JOURNAL OF THE CHEMICAL SOCIETY. FARADAY TRANSACTIONS. - ISSN 0956-5000. - STAMPA. - 86:(1990), pp. 777-781.

MODEL-CALCULATIONS OF CHEMICAL INTERACTIONS .1. INTRAMOLECULAR INTERACTIONS AND ROTATIONAL BARRIERS

COCCHI, Marina;
1990

Abstract

A new method for calculation of rotational barrier and interaction energies is proposed based on introduction of hybrid atomic orbitals in ab-initio calculations
1990
86
777
781
MODEL-CALCULATIONS OF CHEMICAL INTERACTIONS .1. INTRAMOLECULAR INTERACTIONS AND ROTATIONAL BARRIERS / Rastelli, A; Cocchi, Marina; Schiatti, E.. - In: JOURNAL OF THE CHEMICAL SOCIETY. FARADAY TRANSACTIONS. - ISSN 0956-5000. - STAMPA. - 86:(1990), pp. 777-781.
Rastelli, A; Cocchi, Marina; Schiatti, E.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/12542
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