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Results: 1-25/109
Authors:
BAUSCHLICHER CW
ROSI M
Citation: Cw. Bauschlicher et M. Rosi, DIFFERENTIATING BETWEEN H AND F OR H AND CN ON C(111) OR SI(111) SURFACES, JOURNAL OF PHYSICAL CHEMISTRY B, 102(13), 1998, pp. 2403-2405
Authors:
ROSI M
BAUSCHLICHER CW
CHERTIHIN GV
ANDREWS L
Citation: M. Rosi et al., THE VIBRATIONAL FREQUENCIES OF CAO2, SCO2, AND TIO2 - A COMPARISON OFTHEORETICAL METHODS, Theoretical chemistry accounts, 99(2), 1998, pp. 106-112
Authors:
LANGHOFF SR
BAUSCHLICHER CW
HUDGINS DM
SANDFORD SA
ALLAMANDOLA LJ
Citation: Sr. Langhoff et al., INFRARED-SPECTRA OF SUBSTITUTED POLYCYCLIC AROMATIC-HYDROCARBONS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(9), 1998, pp. 1632-1646
Authors:
RICCA A
BAUSCHLICHER CW
Citation: A. Ricca et Cw. Bauschlicher, ACCURATE HEATS OF FORMATION FOR SIFN AND SIFN-4(, FOR N=1), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(5), 1998, pp. 876-880
Authors:
BAUSCHLICHER CW
RICCA A
Citation: Cw. Bauschlicher et A. Ricca, ATOMIZATION ENERGIES OF SO AND SO2 - BASIS-SET EXTRAPOLATION REVISITED, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(41), 1998, pp. 8044-8050
Authors:
BAUSCHLICHER CW
RICCA A
Citation: Cw. Bauschlicher et A. Ricca, ACCURATE HEATS OF FORMATION FOR SFN, SFN- FOR N=1-6(, AND SFN), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(24), 1998, pp. 4722-4727
Authors:
GLOBUS A
BAUSCHLICHER CW
HAN J
JAFFE RL
LEVIT C
SRIVASTAVA D
Citation: A. Globus et al., MACHINE PHASE FULLERENE NANOTECHNOLOGY, Nanotechnology (Bristol. Print), 9(3), 1998, pp. 192-199
Authors:
BAUSCHLICHER CW
LANGHOFF SR
Citation: Cw. Bauschlicher et Sr. Langhoff, INFRARED-SPECTRA OF POLYCYCLIC AROMATIC-HYDROCARBONS - METHYL SUBSTITUTION AND LOSS OF H, Chemical physics, 234(1-3), 1998, pp. 79-86
Authors:
BAUSCHLICHER CW
Citation: Cw. Bauschlicher, INFRARED-SPECTRA OF POLYCYCLIC AROMATIC-HYDROCARBONS - NITROGEN SUBSTITUTION, Chemical physics, 234(1-3), 1998, pp. 87-94
Authors:
BAUSCHLICHER CW
Citation: Cw. Bauschlicher, INFRARED-SPECTRA OF POLYCYCLIC AROMATIC-HYDROCARBONS - OXYGEN SUBSTITUTION, Chemical physics, 233(1), 1998, pp. 29-34
Authors:
BAUSCHLICHER CW
PARTRIDGE H
Citation: Cw. Bauschlicher et H. Partridge, A COMPARISON OF ZNO AND ZNO-, The Journal of chemical physics, 109(19), 1998, pp. 8430-8434
Authors:
BAUSCHLICHER CW
PARTRIDGE H
Citation: Cw. Bauschlicher et H. Partridge, DO BOND FUNCTIONS HELP FOR THE CALCULATION OF ACCURATE BOND-ENERGIES, The Journal of chemical physics, 109(12), 1998, pp. 4707-4712
Authors:
BAUSCHLICHER CW
Citation: Cw. Bauschlicher, QCISD(T) AND B3LYP CAN CORRECTLY DESCRIBE THE EA OF B, AL, AND GA, International journal of quantum chemistry, 66(4), 1998, pp. 285-286
Authors:
RICCA A
BAUSCHLICHER CW
Citation: A. Ricca et Cw. Bauschlicher, ACCURATE D-0 VALUES FOR SIF AND SIF+, Chemical physics letters, 287(3-4), 1998, pp. 239-242
Authors:
RICCA A
BAUSCHLICHER CW
Citation: A. Ricca et Cw. Bauschlicher, ACCURATE HEATS OF FORMATION FOR PHN, PHN-(, AND PHN), Chemical physics letters, 285(5-6), 1998, pp. 455-458
Authors:
BAUSCHLICHER CW
PARTRIDGE H
Citation: Cw. Bauschlicher et H. Partridge, THE SC-OH AND SC+-OCH3 BOND-ENERGIES IN SCOH+, SCOCH3+, SC(OH)(2)(+),SCOHOCH3+, AND SC(OCH)(2)(+)(), Chemical physics letters, 284(5-6), 1998, pp. 308-312
Authors:
CHERTIHIN GV
ANDREWS L
BAUSCHLICHER CW
Citation: Gv. Chertihin et al., REACTIONS OF LASER-ABLATED SCANDIUM ATOMS WITH NITROGEN - MATRIX INFRARED-SPECTRA AND DFT CALCULATIONS FOR SCANDIUM NITRIDES AND THE FIXATION OF NITROGEN BY 2 SCANDIUM ATOMS, Journal of the American Chemical Society, 120(13), 1998, pp. 3205-3212
Authors:
LEE TJ
BAUSCHLICHER CW
JAYATILAKA D
Citation: Tj. Lee et al., A CHALLENGE FOR DENSITY-FUNCTIONAL THEORY - THE XONO AND XNO2 (X=F, CL, AND BR) MOLECULES, Theoretical chemistry accounts, 97(1-4), 1997, pp. 185-194
Authors:
BAUSCHLICHER CW
ROSI M
Citation: Cw. Bauschlicher et M. Rosi, DIFFERENTIATING BETWEEN HYDROGEN AND FLUORINE ON A DIAMOND SURFACE, Theoretical chemistry accounts, 96(4), 1997, pp. 213-216
Authors:
BAUSCHLICHER CW
Citation: Cw. Bauschlicher, IS THE (C)OVER-TILDE STATE OF CH2 LINEAR OR BENT, Theoretical chemistry accounts, 96(1), 1997, pp. 11-13
Authors:
BAUSCHLICHER CW
LANGHOFF SR
Citation: Cw. Bauschlicher et Sr. Langhoff, THE CALCULATION OF ACCURATE HARMONIC FREQUENCIES OF LARGE MOLECULES -THE POLYCYCLIC AROMATIC-HYDROCARBONS, A CASE-STUDY, SPECT ACT A, 53(8), 1997, pp. 1225-1240
Authors:
THUMMEL HT
BAUSCHLICHER CW
Citation: Ht. Thummel et Cw. Bauschlicher, ON THE REACTION OF FNO2 WITH CH3, TERT-BUTYL, AND C13H21, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(6), 1997, pp. 1188-1192
Authors:
CHERTIHIN GV
ANDREWS L
ROSI M
BAUSCHLICHER CW
Citation: Gv. Chertihin et al., REACTIONS OF LASER-ABLATED SCANDIUM ATOMS WITH DIOXYGEN - INFRARED-SPECTRA OF SCO, OSCO, (O-2)SCO, (SCO)(2), AND SC(O-2)(2) IN SOLID ARGON, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(48), 1997, pp. 9085-9091
Authors:
CHERTIHIN GV
CITRA A
ANDREWS L
BAUSCHLICHER CW
Citation: Gv. Chertihin et al., REACTIONS OF LASER-ABLATED COBALT ATOMS WITH O-2 - INFRARED-SPECTRA OF COBALT OXIDES IN SOLID ARGON, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(47), 1997, pp. 8793-8802
Authors:
RICCA A
BAUSCHLICHER CW
Citation: A. Ricca et Cw. Bauschlicher, SUCCESSIVE OH BINDING-ENERGIES OF M(OH)(N)(-3 AND M=SC, TI, V, CO, NI, AND CU() FOR N=1), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(47), 1997, pp. 8949-8955