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International Journal of Quantum Chemistry

Volumn 82, Issue 2, 2001, Pages 73-85

Quantum chemical calculations of geometries and gas-phase deprotonation energies of linear polyyne chains

(3) Molder U a Burk, P a Koppel, I A a

a UNIVERSITY OF TARTU (Estonia)

Author keywords

Atomic charges; Carbon chains; Deprotonation energies; Polyynes; Proton affinities

Indexed keywords

ATOMS; CHEMICAL BONDS; ELECTRON ENERGY LEVELS; MOLECULAR STRUCTURE; NEGATIVE IONS; PROBABILITY DENSITY FUNCTION; PROTONS; QUANTUM THEORY; SET THEORY;

GAS-PHASE DEPROTONATION ENERGIES; POLYYNE;

ORGANIC POLYMERS;

EID: 0035868391 PISSN: 00207608 EISSN: None Source Type: Journal
DOI: 10.1002/1097-461X(2001)82:2<73::AID-QUA1025>3.0.CO;2-H Document Type: Article

Times cited : (24)

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