Zobrazeno 1 - 10
of 3 222
pro vyhledávání: '"R. E. Watson"'
Autor:
Y. Yafet, R. E. Watson
Publikováno v:
International Journal of Quantum Chemistry. 7:93-101
The method of Racah and Stein is applied to the calculation of second-order configuration interaction in the open shells sp6 and s2p4d. The excited configuration sp4d2 is found to be important in screening the matrix element G1 (ps; dp) which is resp
Autor:
Hodgson, E. M.1 (AUTHOR) emfhodgson@gmail.com, McCalmont, J.2 (AUTHOR), Rowe, R.3 (AUTHOR), Whitaker, J.3 (AUTHOR), Holder, A.1 (AUTHOR), Clifton‐Brown, J. C.4 (AUTHOR), Thornton, J.1 (AUTHOR), Hastings, A.2 (AUTHOR), Robson, P. R. H.1 (AUTHOR), Webster, R. J.5 (AUTHOR), Farrar, K.1 (AUTHOR), Donnison, I. S.1 (AUTHOR)
Publikováno v:
GCB Bioenergy. Aug2024, Vol. 16 Issue 8, p1-28. 28p.
Autor:
R E, Watson-Jones, C J, Verco
Publikováno v:
Journal of obstetrics and gynaecology : the journal of the Institute of Obstetrics and Gynaecology.
Publikováno v:
Calphad. 24:309-318
Enthalpies of formation for AlFe were determined by solution calorimetry over a wide concentration range (X Al =0.40–0.50) and over a wide temperature interval (T = 296 to 1029 K). The value of enthalpy of formation becomes more negative with devia
Autor:
Kirthi Tennakone, Armen Kocharian, A. Ratnaweera, Michael Weinert, R. E. Watson, Gayanath Fernando
Publikováno v:
Physical Review B. 61:375-381
Rare-earth iron nitrides are emerging as an important class of magnetic materials. In certain rare-earth iron compounds, the insertion of small atoms such as nitrogen and boron has resulted in significant changes in the magnetic properties in the for
Publikováno v:
Physical Review B. 60:7680-7683
In first-principles plane-wave pseudopotential calculations, there is a subtle interplay between the convergence of the wave function and the pseudopotential expansions. Changing the cutoff of the plane-wave expansion often causes a change in the cal
Publikováno v:
Physica C: Superconductivity. 322:177-185
The Wigner–Seitz local atomic cell construction procedure, provides a topological means for comparing series of related structures in terms of the number and type of nearest neighbors. We used this construction to further our understanding of the c
Autor:
Michael Weinert, R. E. Watson
Publikováno v:
Physical Review B. 58:9732-9740
The occurrence of hybridization gaps around the Fermi level in ordered binary and ternary transition-metal aluminides is investigated using first-principles electronic structure calculations. Hybridization between transition-metal atoms and Al and th
Autor:
Michael Weinert, R. E. Watson
Publikováno v:
Physical Review B. 58:5981-5988
The heats of formation for binary and ternary 3d transition-metal (Ti, V, Fe, and Ni) aluminides are calculated from first principles within the local density approximation. The calculated heats for Ti and Ni aluminides are typically within {approxim
Publikováno v:
Physical Review B. 57:12134-12139
Almost 50 ternary transition-metal aluminides have been reported in the ordered BiF{sub 3} structure, representing roughly half of the observed ordered ternaries. To investigate the possible occurrence of other aluminides in this structure, the heats