Comment on "Using a convenient, quantitative model for torsional entropy to establish qualitative trends for molecular processes that restrict conformational freedom"

被引：20

作者：

Ercolani, G ^{[1
]}

机构：

[1] Univ Roma Tor Vergata, Dipartimento Sci & Tecnol Chim, I-00133 Rome, Italy

来源：

JOURNAL OF ORGANIC CHEMISTRY | 1999年 / 64卷 / 09期

关键词：

D O I：

10.1021/jo981986m

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

引用

页码：3350 / 3353

页数：4

共 20 条

[1] CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS [J].

ALLINGER, NL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (25) :8127-8134

[2] Identification and treatment of internal rotation in normal mode vibrational analysis [J].

Ayala, PY ;

Schlegel, HB .

JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (06) :2314-2325

[3]

Chao J., 1973, Journal of Physical and Chemical Reference Data, V2, P427, DOI 10.1063/1.3253123

[4] An evaluation of the MM+ force field [J].

Hocquet, A ;

Langgard, M .

JOURNAL OF MOLECULAR MODELING, 1998, 4 (03) :94-112

[5] ENERGY LEVELS AND THERMODYNAMIC FUNCTIONS FOR MOLECULES WITH INTERNAL ROTATION .3. COMPOUND ROTATION [J].

KILPATRICK, JE ;

PITZER, KS .

JOURNAL OF CHEMICAL PHYSICS, 1949, 17 (11) :1064-1075

[6]

LEWIS GN, 1961, THERMODYNAMICS, pCH27

[7] ENERGY LEVELS AND THERMODYNAMIC FUNCTIONS FOR MOLECULES WITH INTERNAL ROTATION .4. EXTENDED TABLES FOR MOLECULES WITH SMALL MOMENTS OF INERTIA [J].

LI, JCM ;

PITZER, KS .

JOURNAL OF PHYSICAL CHEMISTRY, 1956, 60 (04) :466-474

[8] Using a convenient, quantitative model for torsional entropy to establish qualitative trends for molecular processes that restrict conformational freedom [J].

Mammen, M ;

Shakhnovich, EI ;

Whitesides, GM .

JOURNAL OF ORGANIC CHEMISTRY, 1998, 63 (10) :3168-3175

[9]

MANDOLINI L, 1986, ADV PHYS ORG CHEM, V22, P81

[10]

MASKILL H, 1985, PHYSICAL BASIS ORGAN, P96

← 1 2 →