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Volumn 134, Issue 5, 2011, Pages

Theoretical studies of the N2O Van Der Waals dimer: Ab initio potential energy surface, intermolecular vibrations and rotational transition frequencies

(5) Zheng, Limin a,b Lu, Yunpeng c Lee, Soo Ying c Fu, Hong a,b Yang, Minghui a

a Wuhan National Laboratory for Optoelectronics (China)

b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES (China)

c Nanyang Technological University (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO POTENTIAL ENERGY SURFACE; BASIS SETS; BOND FUNCTIONS; BOUND STATE; CCSD; EXPERIMENTAL DATA; INTERMOLECULAR POTENTIAL ENERGY SURFACES; INTERMOLECULAR VIBRATIONS; LOCAL MINIMUMS; NODAL SURFACE; NONPOLAR ISOMERS; PLANAR STRUCTURE; POLAR STRUCTURES; QUANTUM TUNNELING EFFECTS; ROTATIONAL TRANSITION FREQUENCIES; SPECTROSCOPIC PARAMETERS; THEORETICAL STUDY; TRANSITION FREQUENCIES; VAN DER WAALS DIMER; VIBRATIONAL EXCITED STATE; VIBRATIONAL FREQUENCIES; VIBRATIONAL MODES;

POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; VAN DER WAALS FORCES;

ISOMERS;

ANALGESIC AGENT; NITROUS OXIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DIMERIZATION; ISOMERISM; QUANTUM THEORY; THERMODYNAMICS;

ANALGESICS, NON-NARCOTIC; DIMERIZATION; ISOMERISM; MODELS, MOLECULAR; NITROUS OXIDE; QUANTUM THEORY; THERMODYNAMICS;

EID: 79951539711 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3523984 Document Type: Article

Times cited : (24)

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