COMPARATIVE CALCULATION ON EXCITED-STATE ENERGIES OF SOME CONJUGATED HYDROCARBONS

被引：5

作者：

MUKHERJEE, D ^{[1
]}

机构：

[1] PRESIDENCY COLL, DEPT CHEM, CALCUTTA 12, INDIA

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1974年 / 8卷 / 02期

关键词：

D O I：

10.1002/qua.560080211

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：247 / 253

页数：7

共 50 条

[41] OBSERVATION OF THE TRIPLET EXCITED-STATE OF A CONJUGATED-POLYMER CRYSTAL
ROBINS, L
ORENSTEIN, J
SUPERFINE, R
PHYSICAL REVIEW LETTERS, 1986, 56 (17) : 1850 - 1853
[42] EXCITED-STATE ENHANCEMENT OF OPTICAL NONLINEARITIES IN LINEAR CONJUGATED MOLECULES
RODENBERGER, DC
HEFLIN, JR
GARITO, AF
NATURE, 1992, 359 (6393) : 309 - 311
[43] SIMPLE-MODELS FOR EXCITED-STATE DYNAMICS OF CONJUGATED MOLECULES
FREDERICK, JH
VACHEV, VD
HADDER, JE
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 207 : 78 - PHYS
[44] STUDY OF EXCITED-STATE MOLECULAR VIBRATIONS OF AROMATIC-HYDROCARBONS
OHNO, K
CHEMICAL PHYSICS LETTERS, 1979, 64 (03) : 560 - 566
[45] Excited-State Planarization as Free Barrierless Motion in a π-Conjugated Terpyridine
Siebert, Ronald
Winter, Andreas
Schubert, Ulrich S.
Dietzek, Benjamin
Popp, Juergen
JOURNAL OF PHYSICAL CHEMISTRY C, 2010, 114 (14): : 6841 - 6848
[46] PROGRAM FOR CALCULATION OF GROUND-STATE AND EXCITED-STATE ENERGY SURFACES
LINDERBERG, J
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, : 353 - 357
[47] ORTHOGONALITY-CONSTRAINED VARIATIONAL CALCULATION OF EXCITED-STATE WAVEFUNCTIONS AND ENERGIES - A PENALIZED-FUNCTIONAL-BASED STRATEGY
DUTTA, P
BHATTACHARYYA, SP
CHEMICAL PHYSICS LETTERS, 1989, 162 (1-2) : 67 - 72
[48] CALCULATIONS OF GROUND-EXCITED AND EXCITED-STATE POTENTIAL SURFACES FOR CONJUGATED HETEROATOMIC MOLECULES
WARSHEL, A
LAPPICIRELLA, A
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (16) : 4664 - 4673
[49] IONIZATION ENERGIES OF CONJUGATED HYDROCARBONS
HOYLAND, JR
GOODMAN, L
SPECTROCHIMICA ACTA, 1960, 16 (10): : 1257 - 1258
[50] CALCULATION OF EXCITED-STATE GEOMETRIES USING MOLECULAR ORBITAL THEORIES
BAIRD, NC
JOURNAL OF THE CHEMICAL SOCIETY D-CHEMICAL COMMUNICATIONS, 1970, (04): : 199 - &

← 1 2 3 4 5 →