DETERMINATION OF REACTIVITY BY MO THEORY .27. MOLECULAR-ORBITAL STUDY OF THE GAS-PHASE DECARBOXYLATION OF BUT-3-ENOIC ACID

被引：7
作者：
LEE, I
CHO, JK
LEE, BS
机构：
来源：
JOURNAL OF COMPUTATIONAL CHEMISTRY | 1984年 / 5卷 / 03期
关键词：
D O I：
10.1002/jcc.540050302
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：217 / 224
页数：8
相关论文
共 50 条
[31]   ROTATION ABOUT THE C-N BOND IN FORMAMIDE - AN AB-INITIO MOLECULAR-ORBITAL STUDY OF STRUCTURE AND ENERGETICS IN THE GAS-PHASE AND IN SOLUTION [J].
BURTON, NA ;
CHIU, SSL ;
DAVIDSON, MM ;
GREEN, DVS ;
HILLIER, IH ;
MCDOUALL, JJW ;
VINCENT, MA .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1993, 89 (15) :2631-2635
[32]   DETERMINATION OF REACTIVITY BY MO THEORY .5. THEORETICAL-STUDIES OF SOLVENT EFFECTS ON GAS-PHASE REACTIONS OF METHOXIDE ION WITH SUBSTITUTED ETHYLENES [J].
LEE, I ;
LEE, BS ;
WON, JO .
BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 1987, 8 (06) :444-449
[33]   AB-INITIO MOLECULAR-ORBITAL STUDY OF THE MECHANISM OF THE GAS-PHASE REACTION SO3+H2O - IMPORTANCE OF THE 2ND WATER MOLECULE [J].
MOROKUMA, K ;
MUGURUMA, C .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (22) :10316-10317
[34]   DETERMINATION OF REACTIVITY BY MO THEORY .70. THEORETICAL-STUDIES ON THE GAS-PHASE PYROLYSIS OF CARBONATE ESTERS, HYDROXY-ESTERS AND HYDROXY-KETONES [J].
LEE, I ;
CHA, OJ ;
LEE, BS .
BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 1991, 12 (01) :97-101
[35]   Molecular structure and pseudorotation in 3,3-dimethyl-3-silatetrahydrothiophene from a joint gas-phase electron diffraction and ab initio molecular orbital study [J].
Borisenko, KB ;
Samdal, S ;
Suslova, EN ;
Sipachev, VA ;
Shishkov, IF ;
Vilkov, LV .
ACTA CHEMICA SCANDINAVICA, 1998, 52 (08) :975-984
[36]   SIOH+/HSIO+ AND SIOH./HSIO. - GAS-PHASE GENERATION AND CHARACTERIZATION - A COMBINED NEUTRALIZATION REIONIZATION MASS-SPECTROMETRY AND ABINITIO MOLECULAR-ORBITAL STUDY [J].
SRINIVAS, R ;
SULZLE, D ;
KOCH, W ;
DEPUY, CH ;
SCHWARZ, H .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (16) :5970-5975
[37]   MASS-SPECTROMETRIC INVESTIGATION OF NITROGEN-COMPOUNDS .41. ON THE GAS-PHASE CHEMISTRY OF IONIZED GLYCINE AND ITS ENOL - A COMBINED EXPERIMENTAL AND ABINITIO MOLECULAR-ORBITAL STUDY [J].
DEPKE, G ;
HEINRICH, N ;
SCHWARZ, H .
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES, 1984, 62 (01) :99-117
[38]   Reactivity of the M4S6+ (M = Mo, W) cluster with CO and NH3 in the gas-phase:: An experimental and DFT study [J].
Lightstone, JM ;
Patterson, MJ ;
White, MG .
CHEMICAL PHYSICS LETTERS, 2005, 413 (4-6) :429-433
[39]   Dynamic interaction of theory and experiment:: total determination of the gas-phase molecular structure of tri-tert-butylphosphine oxide (OPBut3) [J].
Hinchley, SL ;
Haddow, MF ;
Rankin, DWH .
DALTON TRANSACTIONS, 2004, (03) :384-391
[40]   GAS-PHASE REACTIONS OF C+(P-2) AND SI+(P-2) WITH OXYGEN BASES - A G2 AB-INITIO MOLECULAR-ORBITAL STUDY [J].
LUNA, A ;
MO, O ;
YANEZ, M .
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1994, 116 :135-147
12345