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Volumn 112, Issue 13, 2008, Pages 2888-2898

Structure and energetics of ammonia clusters (NH3)n (n = 3-20) investigated using a rigid-polarizable model derived from ab initio calculations

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AMMONIA CLUSTERS; AMMONIA MOLECULES; ANALYTICAL MODELLING; BASIS SETS; CHARGE-ON-SPRING; GLOBAL MINIMUM (GM); HIGH QUALITY (HQ); INDUCTION ENERGIES; MODEL POTENTIALS; MOLECULAR DIPOLES; PERTURBATION THEORY (PT); POLARIZATION EFFECTS; SECOND ORDERS; STRUCTURE AND ENERGETICS;

EID: 47149105048     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp7106796     Document Type: Article
Times cited : (38)

References (42)
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    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, Jr. R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma. K.; Salvador, P.; Dannenberg, J. J.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz. J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.11.1; Gaussian. Inc.: Pittsburgh, PA, 2001.
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    • Woon, D. E.; Dunning, T. H., Jr. J. Chem. Phys. 1993, 98, 1358.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.