Multi-functionalized naphthalene complexes for hydrogen storage

Energy

Volumn 49, Issue 1, 2013, Pages 469-474

  Kalamse, Vijayanand ^a   Wadnerkar, Nitin ^a   Chaudhari, Ajay ^b  

^a SWAMI RAMANAND TEERTH MARATHWADA UNIVERSITY   (India)

^b INSTITUTE OF SCIENCE   (India)

Author keywords

ADMP MD simulations; Density functional theory; Hydrogen storage; Multi functionalized naphthalene

Indexed keywords

ATOMS; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN STORAGE; MOLECULAR DYNAMICS; MOLECULES; THERMOCHEMISTRY;

ADMP-MD SIMULATIONS; DENSITY MATRIX; DENSITY-FUNCTIONAL STUDY; FUNCTIONALIZED; HYDROGEN MOLECULE; HYDROGEN UPTAKE CAPACITY; LI ATOMS; LI METAL; METAL ATOMS; MOLECULAR DYNAMICS SIMULATIONS; MULTI-FUNCTIONALIZED; ROOM TEMPERATURE; TI ATOMS; UPTAKE CAPACITY;

NAPHTHALENE;

CHEMICAL BINDING; HYDROGEN; MOLECULAR ANALYSIS; NAPHTHALENE;

EID: 84871717467     PISSN: 03605442     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.energy.2012.11.018     Document Type: Article

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