SEMIEMPIRICAL CALCULATION ON THE ELECTRONIC STRUCTURE OF THE NITROGEN-CONTAINING HETEROCYCLIC MOLECULES .2. ELECTRONIC STRUCTURE OF PYRAZINE WITH PARTICULAR REFERENCE TO ITS N-PI TRANSITION

被引：25

作者：

ANNO, T

SADO, A

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1958年 / 29卷 / 05期

关键词：

D O I：

10.1063/1.1744672

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：1170 / 1173

页数：4

共 39 条

[21] Accurate thermochemical properties for energetic materials applications. I. Heats of formation of nitrogen-containing heterocycles and energetic precursor molecules from electronic structure theory
Gutowski, Keith E.
Rogers, Robin D.
Dixon, David A.
JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (42): : 11890 - 11897
[22] PI-ELECTRONIC STRUCTURE OF NITROFURAN SYSTEM .2. MOLECULAR ORBITALS OF PI-ELECTRONS OF 5-NITROFURAN AND ITS 2-SUBSTITUTED DERIVATIVES
GAVAR, RA
ZILITIS, VA
STRADYN, YP
GILLER, SA
KHIMIYA GETEROTSIKLICHESKIKH SOEDINENII, 1971, (01): : 3 - &
[23] MODEL SCHEME FOR CALCULATION OF ELECTRONIC-STRUCTURE OF MOLECULES COORDINATED TO TRANSITION-METAL IONS IN TI4+O2- SYSTEM
LUMPOV, AI
MIKHEIKIN, ID
CHUVYLKIN, ND
ZHIDOMIROV, GM
KAZANSKII, VB
KINETICS AND CATALYSIS, 1976, 17 (03) : 702 - 705
[24] CALCULATIONS OF MO-SSP OF QUINOLINE AND ITS DERIVATIVES .2. CALCULATION OF ELECTRONIC-STRUCTURE AND SPECTRA OF 8-MERCAPTOQUINOLINE
BRUVERS, ZP
ZUIKA, IV
KHIMIYA GETEROTSIKLICHESKIKH SOEDINENII, 1978, (11): : 1530 - 1534
[25] N-GLYCOSIDES OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS .2. STUDIES ON STRUCTURE OF 2-AMINO-5-(3-PYRIDYL)-1,3,4-OXADIAZOLE N-TETRA-O-ACETYL-D-GLUCOSIDE
WIENIAWSKI, W
WOJTOWICZ, M
ACTA POLONIAE PHARMACEUTICA, 1974, 31 (03): : 287 - 291
[26] ELECTRONIC-STRUCTURE OF AROMATIC DIAZO-COMPOUNDS .2. CALCULATION OF BENZENEDIAZONIUM CATION AND ITS DERIVATIVES IN APPROXIMATION OF SSP-PPP METHOD
TREIGER, VM
BAGAL, IL
ZHURNAL ORGANICHESKOI KHIMII, 1974, 10 (12): : 2494 - 2502
[27] NONLINEAR-OPTICAL PROPERTIES OF ORGANIC-MOLECULES .20. CALCULATION OF THE STRUCTURE, ELECTRONIC-PROPERTIES AND HYPERPOLARIZABILITIES OF DONOR-ACCEPTOR HETEROCYCLES CONTAINING SULFUR, OXYGEN AND NITROGEN
MORLEY, JO
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1995, (01): : 177 - 180
[28] Analysis of chemical phenomena by solving the constrained Hartree-Fock equation .2. Relationship between pi-electronic structure and its energy in benzene
Ichikawa, H
Kagawa, H
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1997, 70 (01) : 61 - 70
[29] First-principles calculation of the electronic structure, elastic and optical properties of LiSn2N3 nitrogen base stable perovskite semiconductor material
Solanki, Mitesh B.
Shinde, Satyam
Parekh, Bharat B.
MATERIALS TODAY-PROCEEDINGS, 2022, 67 : 943 - 947
[30] SELF-CONSISTENT MAPW CALCULATION WITH A WARPED MUFFIN-TIN POTENTIAL .2. THE ELECTRONIC-STRUCTURE OF LI AND ITS PRESSURE-DEPENDENCE
BROSS, H
STRYCZEK, R
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1987, 144 (02): : 675 - 692

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