THEORETICAL INVESTIGATION OF THE GROUND AND A FEW EXCITED-STATES OF THE CO(SCHIFF BASE)LI COMPLEXES

被引：9

作者：

COLLE, R ^{[1
]}

FORTUNELLI, A ^{[1
]}

RE, N ^{[1
]}

SALVETTI, O ^{[1
]}

机构：

[1] CNR, IST CHIM QUANTIST & ENERGET MOLEC, I-56100 PISA, ITALY

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1988年 / 110卷 / 24期

关键词：

D O I：

10.1021/ja00232a010

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：8016 / 8022

页数：7

共 37 条

[1] PSEUDOPOTENTIALS THAT WORK - FROM H TO PU
BACHELET, GB
HAMANN, DR
SCHLUTER, M
[J]. PHYSICAL REVIEW B, 1982, 26 (08): : 4199 - 4228
[2] DEFECTS IN DIAMOND - THE UNRELAXED VACANCY AND SUBSTITUTIONAL NITROGEN
BACHELET, GB
BARAFF, GA
SCHLUTER, M
[J]. PHYSICAL REVIEW B, 1981, 24 (08): : 4736 - 4744
[3] STRUCTURAL-ENERGY CALCULATIONS BASED ON NORM-CONSERVING PSEUDOPOTENTIALS AND LOCALIZED GAUSSIAN-ORBITALS
BACHELET, GB
GREENSIDE, HS
BARAFF, GA
SCHLUTER, M
[J]. PHYSICAL REVIEW B, 1981, 24 (08): : 4745 - 4752
[4] CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
BOYS, SF
BERNARDI, F
[J]. MOLECULAR PHYSICS, 1970, 19 (04) : 553 - &
[5] CORRELATION CORRECTION TO THE HARTREE-FOCK TOTAL ENERGY OF SOLIDS
CAUSA, M
DOVESI, R
PISANI, C
COLLE, R
FORTUNELLI, A
[J]. PHYSICAL REVIEW B, 1987, 36 (02): : 891 - 897
[6] CAUSA M, IN PRESS PHYS SCR
[7] A GENERAL-METHOD FOR APPROXIMATING THE ELECTRONIC CORRELATION-ENERGY IN MOLECULES AND SOLIDS
COLLE, R
SALVETTI, O
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (03) : 1404 - 1407
[8] V-N VERTICAL TRANSITION OF PLANAR ETHYLENE
COLLE, R
MOSCARDO, F
RIANI, P
SALVETTI, O
[J]. THEORETICA CHIMICA ACTA, 1977, 44 (01): : 1 - 7
[9] APPROXIMATE CALCULATION OF THE CORRELATION ENERGY FOR THE CLOSED AND OPEN-SHELLS
COLLE, R
SALVETTI, O
[J]. THEORETICA CHIMICA ACTA, 1979, 53 (01): : 55 - 63
[10] APPROXIMATE CALCULATION OF CORRELATION ENERGY FOR CLOSED SHELLS
COLLE, R
SALVETTI, O
[J]. THEORETICA CHIMICA ACTA, 1975, 37 (04): : 329 - 334

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