An investigation of the boron-nitrogen analogs of [10]-annulene by semiempirical and ab initio methods.

被引：0

作者：

Patch, B ^{[1
]}

Zoellner, RW ^{[1
]}

机构：

[1] NO ARIZONA UNIV,DEPT CHEM,FLAGSTAFF,AZ 86011

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1997年 / 214卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：233 / INOR

页数：1

共 50 条

[1] AB-INITIO CALCULATIONS FOR BORON-NITROGEN ANALOG OF CYCLOBUTADIENE
BAIRD, NC
INORGANIC CHEMISTRY, 1973, 12 (02) : 473 - 474
[2] Semiempirical vs density functional or ab initio QM/MM methods.
Lyne, P
Karplus, M
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 211 : 167 - COMP
[3] Ab initio electron transport study of carbon and boron-nitrogen nanowires
Shi, X. Q.
Dai, Z. X.
Zheng, X. H.
Zeng, Z.
JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (34): : 16902 - 16907
[4] THE BORON-NITROGEN ANALOGS OF THE LINEAR ACENES FROM BENZENE THROUGH EICOSACENE - A SEMIEMPIRICAL (MNDO) STUDY
KREBS, JF
ZOELLNER, RW
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1992, 203 : 497 - INOR
[5] Finding, optimization, and verification of transition state structures with semiempirical and ab initio computational methods.
Jursic, BS
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1998, 215 : U549 - U549
[6] Boron and nitrogen impurities in SiC nanoribbons: an ab initio investigation
Costa, C. D.
Morbec, J. M.
JOURNAL OF PHYSICS-CONDENSED MATTER, 2011, 23 (20)
[7] Ab-Initio Calculation of the Magnetic Properties of Metal-Doped Boron-Nitrogen Nanoribbon
Rufinus, J.
8TH JOINT EUROPEAN MAGNETIC SYMPOSIA (JEMS2016), 2017, 903
[8] BORON-NITROGEN COMPOUNDS .103. PREPARATION AND CHARACTERIZATION OF SOME ISOELECTRONIC BORON-NITROGEN ANALOGS OF SUBSTITUTED URACIL
BIELAWSKI, J
NIEDENZU, K
STEWART, JS
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, 1985, 40 (03): : 389 - 392
[9] Semiempirical and ab initio methods:: Antagonistic or complementary?
Gribov, LA
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY, 2005, 79 (04): : 587 - 590
[10] BORON-NITROGEN ANALOGS OF CYCLOBUTADIENE, BENZENE AND CYCLOOCTATETRAENE - INTERCONVERSIONS
PAETZOLD, P
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 1994, 93 (1-4): : 39 - 50

← 1 2 3 4 5 →