CONFIGURATIONAL ASSIGNMENT AND CONFORMATIONAL STUDY OF 1-METHYLSULFINYL-2-PROPANOL BY H-1-NMR AND ABINITIO CALCULATIONS

被引：12

作者：

BRUNET, E ^{[1
]}

RUANO, JLG ^{[1
]}

RODRIGUEZ, JH ^{[1
]}

SECUNDINO, MA ^{[1
]}

DELAVEGA, JMG ^{[1
]}

机构：

[1] UNIV AUTONOMA MADRID, DEPT QUIM FIS & QUIM CUANT, E-28049 MADRID, SPAIN

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1986年 / 144卷 / 1-2期

关键词：

D O I：

10.1016/0022-2860(86)80171-5

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

收藏

页码：109 / 119

页数：11

相关论文

共 29 条

[21] OBERHAMMER H, 1981, J MOL STRUCT, V85, P125
[22] OHSAKU M, 1981, J MOL STRUC-THEOCHEM, V85, P125
[23] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES
POPLE, JA
SANTRY, DP
SEGAL, GA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) : S129 - +
[24] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS
POPLE, JA
SEGAL, GA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (09) : 3289 - &
[25] RESTRICTED HARTREE-FOCK APPROXIMATION .1. TECHNIQUES FOR THE ENERGY MINIMIZATION
RICO, JF
DELAVEGA, JMG
ALONSO, JIF
FANTUCCI, P
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (01) : 33 - 40
[26] RICO JF, 1983, J COMPUT CHEM, V4, P41, DOI 10.1002/jcc.540040107
[27] AN ECONOMICAL TECHNIQUE FOR FORCING CONVERGENCE IN CONVENTIONAL SCF METHODS
RICO, JF
DELAVEGA, JMG
PANIAGUA, M
FERNANDEZALONSO, JI
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (09) : 4407 - 4411
[28] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .4. CALCULATIONS ON MOLECULES INCLUDING ELEMENTS SODIUM THROUGH CHLORINE
SANTRY, DP
SEGAL, GA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (01) : 158 - &
[29] [No title captured]