-
1
-
-
22944450173
-
Infrared spectra of the products of reaction of aluminium, gallium, indium, and thalium with oxygen in an argon matrix. Estimation of the fundamentals, v3, in cyclic superoxides of group III metals
-
10.1016/0022-2860(82)80076-8 1:CAS:528:DyaL38XktlSmt7w%3D
-
LV Serebrennikov SB Osin AA Maltsev 1982 Infrared spectra of the products of reaction of aluminium, gallium, indium, and thalium with oxygen in an argon matrix. Estimation of the fundamentals, v3, in cyclic superoxides of group III metals J Mol Struct 81 25 33 10.1016/0022-2860(82)80076-8 1:CAS:528: DyaL38XktlSmt7w%3D
-
(1982)
J Mol Struct
, vol.81
, pp. 25-33
-
-
Serebrennikov, L.V.1
Osin, S.B.2
Maltsev, A.A.3
-
2
-
-
0000438298
-
Matrix reactions of molecular oxygen and ozone with aluminum atoms
-
10.1021/j100234a033 1:CAS:528:DyaL3sXitVKktr0%3D
-
SM Sonchik L Andrews KD Carlson 1983 Matrix reactions of molecular oxygen and ozone with aluminum atoms J Phys Chem 87 2004 2011 10.1021/j100234a033 1:CAS:528:DyaL3sXitVKktr0%3D
-
(1983)
J Phys Chem
, vol.87
, pp. 2004-2011
-
-
Sonchik, S.M.1
Andrews, L.2
Carlson, K.D.3
-
3
-
-
0000216538
-
Spectroscopic studies of AlO in argon matrices
-
10.1063/1.448543
-
SJ Barnes M Haak JW Nibler 1985 Spectroscopic studies of AlO in argon matrices J Chem Phys 82 670 675 10.1063/1.448543
-
(1985)
J Chem Phys
, vol.82
, pp. 670-675
-
-
Barnes, S.J.1
Haak, M.2
Nibler, J.W.3
-
10
-
-
0000337474
-
Reactions of pulsed laser evaporated aluminum atoms with oxygen. Infrared spectra of the reaction products in solid argon
-
10.1021/j100204a018 1:CAS:528:DyaK3sXhsFCntw%3D%3D
-
L Andrews TR Burkholder JT Yustein 1992 Reactions of pulsed laser evaporated aluminum atoms with oxygen. Infrared spectra of the reaction products in solid argon J Phys Chem 96 10182 10189 10.1021/j100204a018 1:CAS:528:DyaK3sXhsFCntw%3D%3D
-
(1992)
J Phys Chem
, vol.96
, pp. 10182-10189
-
-
Andrews, L.1
Burkholder, T.R.2
Yustein, J.T.3
-
13
-
-
4243302414
-
y, (x = 1, 2; Y 3) derived from ab initio calculations
-
10.1016/0009-2614(88)87131-8 1:CAS:528:DyaL1cXitFSmtrc%3D
-
y, (x = 1, 2; y 3) derived from ab initio calculations Chem Phys Lett 144 373 377 10.1016/0009-2614(88) 87131-8 1:CAS:528:DyaL1cXitFSmtrc%3D
-
(1988)
Chem Phys Lett
, vol.144
, pp. 373-377
-
-
Masip, J.1
Clotet, A.2
Ricart, J.M.3
Illas, F.4
Rubio, J.5
-
14
-
-
0000065590
-
4O
-
10.1021/ja00024a003 1:CAS:528:DyaK3MXms1ersr8%3D
-
4O J Am Chem Soc 113 9045 9054 10.1021/ja00024a003 1:CAS:528:DyaK3MXms1ersr8%3D
-
(1991)
J Am Chem Soc
, vol.113
, pp. 9045-9054
-
-
Boldyrev, A.I.1
Pvr, S.2
-
15
-
-
0000953860
-
Structures of the aluminum oxides studied by ab initio methods with natural bond orbital analysis
-
10.1063/1.462978 1:CAS:528:DyaK38XlvFyqt70%3D
-
AV Nemukhin F Weinhold 1992 Structures of the aluminum oxides studied by ab initio methods with natural bond orbital analysis J Chem Phys 97 3420 3430 10.1063/1.462978 1:CAS:528:DyaK38XlvFyqt70%3D
-
(1992)
J Chem Phys
, vol.97
, pp. 3420-3430
-
-
Nemukhin, A.V.1
Weinhold, F.2
-
20
-
-
0041603280
-
2 (M = Al, Ga, In, T1)
-
10.1021/j100043a022 1:CAS:528:DyaK2MXosVOjsr0%3D
-
2 (M = Al, Ga, In, T1) J Phys Chem 99 15830 15836 10.1021/j100043a022 1:CAS:528:DyaK2MXosVOjsr0%3D
-
(1995)
J Phys Chem
, vol.99
, pp. 15830-15836
-
-
Archibong, E.F.1
Sullivan, R.2
-
21
-
-
0032489098
-
2 (M=Al, Ga) systems: CCSD(T) and DFT studies of their structures, harmonic vibrational frequencies, and dissociation energies
-
PII S0009261497014310
-
EF Archibong A St-Amant 1998 The cyclic MO2 (M = Al, Ga) systems: CCSD(T) and DFT studies of their structures, harmonic vibrational frequencies, and dissociation energies Chem Phys Lett 284 331 338 10.1016/S0009-2614(97)01431-0 1:CAS:528:DyaK1cXhslWksrw%3D (Pubitemid 128180884)
-
(1998)
Chemical Physics Letters
, vol.284
, Issue.5-6
, pp. 331-338
-
-
Archibong, E.F.1
St-Amant, A.2
-
29
-
-
0034622710
-
2 systems in doublet and quartet states at density functional theory and the electron correlation levels
-
10.1063/1.1288386 1:CAS:528:DC%2BD3cXmt1ejtr0%3D
-
2 systems in doublet and quartet states at density functional theory and the electron correlation levels J Chem Phys 113 4216 4229 10.1063/1.1288386 1:CAS:528:DC%2BD3cXmt1ejtr0%3D
-
(2000)
J Chem Phys
, vol.113
, pp. 4216-4229
-
-
Bu, Y.1
Song, X.2
-
31
-
-
22944484073
-
2 and its anion
-
DOI 10.1016/j.cplett.2005.05.127, PII S000926140500850X
-
2 and its anion Chem Phys Lett 411 297 301 10.1016/j.cplett.2005.05.127 1:CAS:528:DC%2BD2MXms1OrtLg%3D (Pubitemid 41042418)
-
(2005)
Chemical Physics Letters
, vol.411
, Issue.4-6
, pp. 297-301
-
-
Sarker, M.I.M.1
Kim, C.-S.2
Choi, C.H.3
-
32
-
-
10644250257
-
Inhomogeneous electron gas
-
10.1103/PhysRev.136.B864
-
P Hohenberg W Kohn 1964 Inhomogeneous electron gas Phys Rev 136 B864 B871 10.1103/PhysRev.136.B864
-
(1964)
Phys Rev
, vol.136
-
-
Hohenberg, P.1
Kohn, W.2
-
33
-
-
0042113153
-
Self-consistent equations including exchange and correlation effects
-
10.1103/PhysRev.140.A1133
-
W Kohn LJ Sham 1965 Self-consistent equations including exchange and correlation effects Phys Rev 140 A1133 A1138 10.1103/PhysRev.140.A1133
-
(1965)
Phys Rev
, vol.140
-
-
Kohn, W.1
Sham, L.J.2
-
34
-
-
0344718335
-
Density-functional thermochemistry. V. Systematic optimization of exchange-correlation functionals
-
AD Becke 1997 Density-functional thermochemistry. V. Systematic optimization of exchange-correlation functionals J Chem Phys 107 8554 8560 10.1063/1.475007 1:CAS:528:DyaK2sXntFGiuro%3D (Pubitemid 127611634)
-
(1997)
Journal of Chemical Physics
, vol.107
, Issue.20
, pp. 8554-8560
-
-
Becke, A.D.1
-
35
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
10.1103/PhysRevB.37.785 1:CAS:528:DyaL1cXktFWrtbw%3D
-
CT Lee WT Yang RG Parr 1988 Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Phys Rev B 37 785 789 10.1103/PhysRevB.37.785 1:CAS:528:DyaL1cXktFWrtbw%3D
-
(1988)
Phys Rev B
, vol.37
, pp. 785-789
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
36
-
-
79954415707
-
-
Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb M A, Cheeseman JR, Montgomery Jr JA, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian H P, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2004) Gaussian 03, revision C.02. Gaussian, Inc., Wallingford
-
Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb M A, Cheeseman JR, Montgomery Jr JA, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian H P, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2004) Gaussian 03, revision C.02. Gaussian, Inc., Wallingford
-
-
-
-
37
-
-
33746614482
-
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
-
10.1063/1.456153 1:CAS:528:DyaL1MXksVGmtrk%3D
-
TH Dunning Jr 1989 Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen J Chem Phys 90 1007 1023 10.1063/1.456153 1:CAS:528:DyaL1MXksVGmtrk%3D
-
(1989)
J Chem Phys
, vol.90
, pp. 1007-1023
-
-
Dunning Jr., T.H.1
-
38
-
-
3843146349
-
Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
-
10.1063/1.464303 1:CAS:528:DyaK3sXhtlans7Y%3D
-
DE Woon TH Dunning Jr 1993 Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon J Chem Phys 98 1358 1371 10.1063/1.464303 1:CAS:528:DyaK3sXhtlans7Y%3D
-
(1993)
J Chem Phys
, vol.98
, pp. 1358-1371
-
-
Woon, D.E.1
Dunning Jr., T.H.2
|