Preference of cluster isomers as a result of quantum delocalization: potential energy surfaces and intermolecular vibrational states of Ne...HBr, Ne...Hl, and Hl(Ar)n (n=1-6)

Journal of Chemical Physics

Volumn 114, Issue 4, 2001, Pages 1539-1548

  Slavíček, Petr ^a   Roeselová, Martina ^a   Jungwirth, Pavel ^a   Schmidt, Burkhard ^b  

^a J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ARGON; COMPUTATIONAL METHODS; HALOGEN COMPOUNDS; HYDROGEN; MOLECULAR DYNAMICS; NEON; PERTURBATION TECHNIQUES; PHOTODISSOCIATION; QUANTUM THEORY; VAN DER WAALS FORCES;

BASIS SET SUPERPOSITION ERROR; INTERMOLECULAR VIBRATIONAL STATES; MOLLER-PLESSET PERTURBATION THEORY; POTENTIAL ENERGY SURFACES; QUANTUM DELOCALIZATION;

ISOMERS;

EID: 0042437393     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1333705     Document Type: Article

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