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We present 13 (3)J, seven (2)J and four (1)J coupling constants (24 in all) calculated using B3LYP/D95** as a function of the φ and ψ Ramachandran dihedral angles of the acetyl(...
This study examines the relationship of structure precision, as expressed by the e.s.d.'s of atomic coordinates, to the R-factor and chemical constitution of a given crystal str...
The relationship between the mean isotropic e.s.d. \sigma \bar(A)o of any element type A in a crystal structure and the R-factor and atomic constitution of that structure is exp...
Abstract. Ice core records demonstrate a glacial-interglacial atmospheric CO2 increase of ~ 100 ppm. A transfer of ~ 530 Gt C is required to produce the deglacial rise of carbon...