GROUND-STATES OF MOLECULES .31. MINDO-3 STUDY OF CH2, NH2+, AND O2

被引：43

作者：

DEWAR, MJS ^{[1
]}

HADDON, RC ^{[1
]}

LI, WK ^{[1
]}

THIEL, W ^{[1
]}

WEINER, PK ^{[1
]}

机构：

[1] UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1975年 / 97卷 / 16期

关键词：

D O I：

10.1021/ja00849a015

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：4540 / 4545

页数：6

共 42 条

[1] SINGLET-TRIPLET ENERGY SEPARATION, WALSH-MULLIKEN DIAGRAMS, AND SINGLET D-POLARIZATION EFFECTS IN METHYLENE
BENDER, CF
ALLEN, LC
SCHAEFER, HF
FRANCESC.DR
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (20) : 6888 - +
[2] NEW THEORETICAL EVIDENCE FOR NONLINEARITY OF TRIPLET GROUND STATE OF METHYLENE
BENDER, CF
SCHAEFER, HF
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (16) : 4984 - +
[3] ELECTRON PARAMAGNETIC RESONANCE OF TRIPLET CH2
BERNHEIM, RA
BERNARD, HW
WANG, PS
WOOD, LS
SKELL, PS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (03) : 1280 - &
[4] GROUND-STATES OF MOLECULES .22. INCORPORATION OF PARTIAL CONFIGURATION INTERACTION IN MINDO/2 AND ITS APPLICATION TO BOND DISSOCIATION ENERGIES AND SIGMATROPIC REARRANGEMENTS
BINGHAM, RC
DEWAR, MJS
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (26) : 9107 - 9112
[5] GROUND-STATES OF MOLECULES .27. MINDO-3 CALCULATIONS FOR CHON SPECIES
BINGHAM, RC
DEWAR, MJS
LO, DH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1302 - 1306
[6] GROUND-STATES OF MOLECULES .28. MINDO-3 CALCULATIONS FOR COMPOUNDS CONTAINING CARBON, HYDROGEN, FLUORINE, AND CHLORINE
BINGHAM, RC
DEWAR, MJS
LO, DH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1307 - 1311
[7] GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS
BINGHAM, RC
DEWAR, MJS
LO, DH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1294 - 1301
[8] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
BINGHAM, RC
DEWAR, MJS
LO, DH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1285 - 1293
[9] GROUND-STATES OF MOLECULES .19. CARBENE AND ITS REACTIONS
BODOR, N
WASSON, JS
DEWAR, MJS
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (26) : 9095 - 9102
[10] CHEMICAL EVIDENCE FOR A SMALL CH2(1A1)-CH2(3SIGMAG-) ELECTRONIC TERM DIFFERENCE
CARR, RW
EDER, TW
TOPOR, MG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (12) : 4716 - &

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