CHARGE-TRANSFER PROPERTIES OF HYDROGEN-BOND .4. CNDO-2 MOLECULAR-ORBITAL CALCULATIONS AND PROBLEM OF RELATION BETWEEN ENERGY AND AMOUNT OF CHARGE TRANSFERRED WITHIN HYDROGEN-BONDED SYSTEMS

被引：15

作者：

RATAJCZAK, H ^{[1
]}

机构：

[1] UNIV WROCLAW, INST CHEM, UL JOLIOT CURIE 14, WROCLAW, POLAND

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1973年 / 17卷 / 02期

关键词：

D O I：

10.1016/0022-2860(73)85189-0

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

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页码：431 / 433

页数：3

共 8 条

[1] CNDO-2 MOLECULAR-ORBITAL CALCULATIONS ON HYDROGEN-BOND AND CHARGE-TRANSFER INTERACTIONS WITH PI-ELECTRON DONORS
MURTHY, ASN
PRASAD, PL
SINGH, S
ADVANCES IN MOLECULAR RELAXATION PROCESSES, 1976, 8 (01): : 63 - 66
[2] CHARGE-TRANSFER PROPERTIES OF HYDROGEN-BOND .2. CHARGE-TRANSFER THEORY AND RELATION BETWEEN ENHANCEMENT OF DIPOLE-MOMENT AND IONIZATION POTENTIAL OF HYDROGEN-BONDED SYSTEMS
RATAJCZA.H
JOURNAL OF PHYSICAL CHEMISTRY, 1972, 76 (26): : 3991 - 3992
[3] CHARGE-TRANSFER PROPERTIES OF HYDROGEN-BOND .6. CHARGE-TRANSFER THEORY AND DIPOLE-MOMENTS OF HYDROGEN-BONDED COMPLEXES
RATAJCZAK, H
ORVILLETHOMAS, WJ
JOURNAL OF MOLECULAR STRUCTURE, 1975, 26 (02) : 387 - 391
[4] CHARGE-TRANSFER PROPERTIES OF HYDROGEN-BOND .1. THEORY OF ENHANCEMENT OF DIPOLE-MOMENT OF HYDROGEN-BONDED SYSTEMS
RATAJCZAK, H
OSWAL, SL
JOURNAL OF PHYSICAL CHEMISTRY, 1972, 76 (21): : 3000 - +
[5] CHARGE-TRANSFER PROPERTIES OF HYDROGEN-BONDS .3. CHARGE-TRANSFER THEORY AND RELATION BETWEEN ENERGY AND ENHANCEMENT OF DIPOLE-MOMENT OF HYDROGEN-BONDED COMPLEXES
RATAJCZAK, H
ORVILLET.WJ
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03): : 911 - 919
[6] ABINITIO MOLECULAR-ORBITAL CALCULATIONS OF THE IR-SPECTRA OF HYDROGEN-BONDED COMPLEXES OF WATER, AMMONIA AND HYDROXYLAMINE .4. 2 DIMERS OF HYDROXYLAMINE
YEO, GA
FORD, TA
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1989, 59 : 507 - 532
[7] Phenalenyl-based highly conductive molecular systems with hydrogen-bonded networks: Synthesis, physical properties, and crystal structures of 1,3- and 1,6-diazaphenalenes, and their protonated salts and charge-transfer complexes with TCNQ
Murata, Tsuyoshi
Morita, Yasushi
Fukui, Kozo
Tamaki, Koichi
Yamochi, Hideki
Saito, Gunzi
Nakasuji, Kazuhiro
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 2006, 79 (06) : 894 - 913
[8] Phenalenyl-based highly conductive molecular systems with hydrogen-bonded networks: Synthesis, physical properties, and crystal structures of 1,3- and 1,6-diazaphenalenes, and their protonated salts and charge-transfer complexes with TCNQ
Murata, Tsuyoshi
Morita, Yasushi
Fukui, Kozo
Tamaki, Koichi
Yamochi, Hideki
Saito, Gunzi
Nakasuji, Kazuhiro
Bulletin of the Chemical Society of Japan, 2006, 79 (06): : 894 - 913

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