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Results: 51-75/109
Authors:
RICCA A
BAUSCHLICHER CW
Citation: A. Ricca et Cw. Bauschlicher, A COMPARISON OF DENSITY-FUNCTIONAL THEORY WITH AB-INITIO APPROACHES FOR SYSTEMS INVOLVING FIRST TRANSITION ROW METALS, Theoretica Chimica Acta, 92(2), 1995, pp. 123-131
Authors:
BAUSCHLICHER CW
MAITRE P
Citation: Cw. Bauschlicher et P. Maitre, THEORETICAL-STUDY OF THE FIRST TRANSITION ROW OXIDES AND SULFIDES, Theoretica Chimica Acta, 90(2-3), 1995, pp. 189-203
Authors:
RICCA A
BAUSCHLICHER CW
Citation: A. Ricca et Cw. Bauschlicher, SUCCESSIVE H2O BINDING-ENERGIES FOR FE(H2O)(N)(+), Journal of physical chemistry, 99(22), 1995, pp. 9003-9007
Authors:
MAITRE P
BAUSCHLICHER CW
Citation: P. Maitre et Cw. Bauschlicher, STRUCTURE OF V(H-2)(N)(+) CLUSTERS FOR N=1-6, Journal of physical chemistry, 99(18), 1995, pp. 6836-6841
Authors:
RICCA A
BAUSCHLICHER CW
Citation: A. Ricca et Cw. Bauschlicher, THEORETICAL-STUDY OF FE(CO)(N)(-), Journal of physical chemistry, 99(16), 1995, pp. 5922-5926
Authors:
BAUSCHLICHER CW
MAITRE P
Citation: Cw. Bauschlicher et P. Maitre, STRUCTURE OF CO(H-2)N(+) CLUSTERS, FOR N=1-6, Journal of physical chemistry, 99(11), 1995, pp. 3444-3447
Authors:
BAUSCHLICHER CW
PARTRIDGE H
Citation: Cw. Bauschlicher et H. Partridge, A MODIFICATION OF THE GAUSSIAN-2 APPROACH USING DENSITY-FUNCTIONAL THEORY, The Journal of chemical physics, 103(5), 1995, pp. 1788-1791
Authors:
PARTRIDGE H
BAUSCHLICHER CW
Citation: H. Partridge et Cw. Bauschlicher, THE DISSOCIATION-ENERGIES OF CH4 AND C2H2 REVISITED, The Journal of chemical physics, 103(24), 1995, pp. 10589-10596
Authors:
LANGHOFF SR
BAUSCHLICHER CW
Citation: Sr. Langhoff et Cw. Bauschlicher, GLOBAL DIPOLE-MOMENT FUNCTION FOR THE X(1)SIGMA(-STATE OF CO() GROUND), The Journal of chemical physics, 102(13), 1995, pp. 5220-5225
Authors:
PARTRIDGE H
BAUSCHLICHER CW
VISSCHER L
Citation: H. Partridge et al., THE DISSOCIATION-ENERGIES OF ALH2 AND ALAR, Chemical physics letters, 246(1-2), 1995, pp. 33-39
Authors:
BAUSCHLICHER CW
Citation: Cw. Bauschlicher, A COMPARISON OF THE ACCURACY OF DIFFERENT FUNCTIONALS, Chemical physics letters, 246(1-2), 1995, pp. 40-44
Authors:
RICCA A
BAUSCHLICHER CW
Citation: A. Ricca et Cw. Bauschlicher, THE MCH(2)(- DO SCCH2+ AND TICH2+ HAVE C-S OR C-2V SYMMETRY AND A COMPARISON OF THE B3LYP METHOD TO OTHER APPROACHES() SYSTEMS ), Chemical physics letters, 245(2-3), 1995, pp. 150-157
Authors:
RICCA A
BAUSCHLICHER CW
Citation: A. Ricca et Cw. Bauschlicher, THE LOW-LYING ELECTRONIC STATES OF LIC, Chemical physics letters, 244(1-2), 1995, pp. 32-38
Authors:
RICCA A
BAUSCHLICHER CW
Citation: A. Ricca et Cw. Bauschlicher, THE LOW-LYING ELECTRONIC STATES OF LIB, Chemical physics letters, 241(3), 1995, pp. 241-247
Authors:
BAUSCHLICHER CW
SODUPE M
Citation: Cw. Bauschlicher et M. Sodupe, WHAT IS THE STRUCTURE OF FEC5H6+, Chemical physics letters, 240(5-6), 1995, pp. 526-532
Authors:
BAUSCHLICHER CW
PARTRIDGE H
Citation: Cw. Bauschlicher et H. Partridge, THE SENSITIVITY OF B3LYP ATOMIZATION ENERGIES TO THE BASIS-SET AND A COMPARISON OF BASIS-SET REQUIREMENTS FOR CCSD(T) AND B3LYP, Chemical physics letters, 240(5-6), 1995, pp. 533-540
Authors:
BAUSCHLICHER CW
PARTRIDGE H
Citation: Cw. Bauschlicher et H. Partridge, A STUDY OF THE X-(2)SIGMA(-(2)PI STATES OF MGAR+ AND MGKR+() AND A), Chemical physics letters, 239(4-6), 1995, pp. 241-245
Authors:
BAUSCHLICHER CW
PARTRIDGE H
Citation: Cw. Bauschlicher et H. Partridge, THE C-H DISSOCIATION-ENERGY OF C2H6, Chemical physics letters, 239(4-6), 1995, pp. 246-251
Authors:
BAUSCHLICHER CW
Citation: Cw. Bauschlicher, THE BOND-DISSOCIATION ENERGIES OF 1-BUTENE, Chemical physics letters, 239(4-6), 1995, pp. 252-257
Authors:
BAUSCHLICHER CW
RICCA A
Citation: Cw. Bauschlicher et A. Ricca, ON THE INTERACTION OF CO AND NH3 WITH BH3 AND BF3, Chemical physics letters, 237(1-2), 1995, pp. 14-19
Authors:
XU YC
LEE SA
FREISER BS
BAUSCHLICHER CW
Citation: Yc. Xu et al., ORGANOMETALLIC DISTONIC IONS - (FEC6H4-CENTER-DOT)-FE-+, Journal of the American Chemical Society, 117(19), 1995, pp. 5413-5414
Authors:
SODUPE M
BAUSCHLICHER CW
Citation: M. Sodupe et Cw. Bauschlicher, A STUDY OF THE GROUND AND LOW-LYING STATES OF MGC2H2+ AND MGC2H4+, Chemical physics, 185(2), 1994, pp. 163-171
Authors:
PARTRIDGE H
BAUSCHLICHER CW
Citation: H. Partridge et Cw. Bauschlicher, THEORETICAL-STUDY OF THE LOW-LYING STATES OF TIHE+, TINE+, TIAR+, VAR+, CRHE+, CRAR+, FEHE+, FEAR+, COHE+, AND COAR+, Journal of physical chemistry, 98(9), 1994, pp. 2301-2306
Authors:
BAUSCHLICHER CW
PARTRIDGE H
Citation: Cw. Bauschlicher et H. Partridge, HEAT OF FORMATION OF CH2OH, Journal of physical chemistry, 98(7), 1994, pp. 1826-1829
Authors:
RICCA A
BAUSCHLICHER CW
Citation: A. Ricca et Cw. Bauschlicher, SUCCESSIVE BINDING-ENERGIES OF FE(CO)(5)(+), Journal of physical chemistry, 98(49), 1994, pp. 12899-12903