Citation: V. Kairys et Jd. Head, GEOMETRY OPTIMIZATION OF CHARGED MOLECULES IN AN EXTERNAL ELECTRIC-FIELD APPLIED TO F-CENTER-DOT-H2O AND I-CENTER-DOT-H2O, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(8), 1998, pp. 1365-1370
Citation: V. Kairys et Jd. Head, ELECTRIC-FIELD EFFECTS ON THE GEOMETRY AND VIBRATIONS OF CHARGED MOLECULES - THE HYDROXIDE ION CASE, Chemical physics letters, 288(2-4), 1998, pp. 423-428
Citation: Jd. Head, A QUANTUM-CHEMICAL INVESTIGATION AND REASSIGNMENT OF THE HREELS OBSERVED O-VIBRATION ON THE AL(111) SURFACE, Surface science, 384(1-3), 1997, pp. 224-233
Citation: V. Kairys et Jd. Head, A THEORETICAL INVESTIGATION OF ADSORBATE-INDUCED SURFACE RELAXATION EFFECTS USING CLUSTER-MODELS - AL ON SI(111), Surface science, 380(2-3), 1997, pp. 283-292
Citation: Jd. Head, COMPUTATION OF VIBRATIONAL FREQUENCIES FOR ADSORBATES ON SURFACES, International journal of quantum chemistry, 65(5), 1997, pp. 827-838
Citation: Md. Calvin et al., THEORETICALLY MODELING THE WATER BILAYER ON THE AL(111) SURFACE USINGCLUSTER CALCULATIONS, Surface science, 345(1-2), 1996, pp. 161-172
Citation: Jd. Head et Sj. Silva, A LOCALIZED ORBITALS BASED EMBEDDED-CLUSTER PROCEDURE FOR MODELING CHEMISORPTION ON LARGE FINITE CLUSTERS AND INFINITELY EXTENDED SURFACES, The Journal of chemical physics, 104(9), 1996, pp. 3244-3259
Citation: Sq. Jin et Jd. Head, THEORETICAL INVESTIGATION OF MOLECULAR WATER-ADSORPTION ON THE AL(111) SURFACE, Surface science, 318(1-2), 1994, pp. 204-216
Citation: Jd. Head et Sq. Jin, EFFICIENT TOOLS FOR THEORETICALLY INVESTIGATING SURFACE-STRUCTURE APPLIED TO AL ON GRAPHITE, Chemical physics letters, 212(1-2), 1993, pp. 32-36