SCOPUS 정보 검색 플랫폼

Volumn 132, Issue 23, 2010, Pages

Communications: Is quantum chemical treatment of biopolymers accurate? Intramolecular basis set superposition error (BSSE)

(1) Balabin, Roman M a

a ETH ZURICH (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SET SUPERPOSITION ERRORS; BASIS SETS; COMPLETE BASIS SET LIMIT; COUNTERPOISE CORRECTION; DENSITY FUNCTIONALS; GAS-PHASE STABILITY; NON-ADDITIVE; ORDER OF MAGNITUDE; POLYALANINE; POLYGLYCINE; QUANTUM CHEMICAL TREATMENT; RELATIVE ENERGIES; SECONDARY STRUCTURE ELEMENTS; SECONDARY STRUCTURES;

BIOMOLECULES; BIOPOLYMERS; PHASE STABILITY;

DENSITY FUNCTIONAL THEORY;

BIOPOLYMER; PEPTIDE; POLYALANINE; POLYGLYCINE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; QUANTUM THEORY;

BIOPOLYMERS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PEPTIDES; QUANTUM THEORY;

EID: 77953851670 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3442466 Document Type: Article

Times cited : (46)

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