Citation: Eh. Teunissen et al., AB-INITIO EMBEDDED-CLUSTER STUDY OF THE ADSORPTION OF NH3 AND NH4+ INCHABAZITE, Journal of physical chemistry, 99(7), 1995, pp. 1873-1879
Citation: Eh. Teunissen et Apj. Jansen, LARGE BASIS-SETS AND GEOMETRY OPTIMIZATIONS IN EMBEDDED-CLUSTER CALCULATIONS, International journal of quantum chemistry, 54(1), 1995, pp. 73-81
Authors:
TEUNISSEN EH
ROETTI C
PISANI C
DEMAN AJM
JANSEN APJ
ORLANDO R
VANSANTEN RA
DOVESI R
Citation: Eh. Teunissen et al., PROTON-TRANSFER IN ZEOLITES - A COMPARISON BETWEEN CLUSTER AND CRYSTAL CALCULATIONS, Modelling and simulation in materials science and engineering, 2(4), 1994, pp. 921-932
Authors:
TEUNISSEN EH
JANSEN APJ
VANSANTEN RA
ORLANDO R
DOVESI R
Citation: Eh. Teunissen et al., ADSORPTION ENERGIES OF NH3 AND NH4-RANGE ELECTROSTATIC POTENTIAL OF THE CRYSTAL( IN ZEOLITES CORRECTED FOR THE LONG), The Journal of chemical physics, 101(7), 1994, pp. 5865-5874