NONEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS FOR PROTONATED FORMALDEHYDE ACETALDEHYDE AND FORMIC ACID

被引：94

作者：

ROS, P

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1968年 / 49卷 / 11期

关键词：

D O I：

10.1063/1.1669978

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：4902 / &

共 52 条

[1] EXTENDED HUCKEL THEORY AND SHAPE OF MOLECULES [J].

ALLEN, LC ;

RUSSELL, JD .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (03) :1029-&

[2] CALCULATION OF N.M.R SPIN-SPIN COUPLING CONSTANTS IN ETHYLENE [J].

ARMOUR, EAG ;

STONE, AJ .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1967, 302 (1468) :25-&

[3] A Relation Between Internuclear Distances and Bond Force Constants [J].

Badger, Richard M. .

JOURNAL OF CHEMICAL PHYSICS, 1934, 2 (03)

[4] MOLECULAR ORBITAL THEORY FOR OCTAHEDRAL AND TETRAHEDRAL METAL COMPLEXES [J].

BASCH, H ;

VISTE, A ;

GRAY, HB .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :10-+

[5] O-H CHEMICAL SHIFT CONFORMATION AND ELECTRON DELOCALIZATION IN PROTONATED CARBONYL COMPOUNDS [J].

BROOKHAR.M ;

LEVY, GC ;

WINSTEIN, S .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (07) :1735-&

[6]

BROUWER DM, 1967, RECL TRAV CHIM PAY-B, V86, P879

[7] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .3. PYRROLE GROUND-STATE WAVEFUNCTION [J].

CLEMENTI, E ;

CLEMENTI, H ;

DAVIS, DR .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (12) :4725-&

[8]

CLEMENTI E, 1967, J CHEM PHYS, V46, P4737, DOI 10.1063/1.1840628

[9] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].

CLEMENTI, E ;

RAIMONDI, DL .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&

[10] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .6. CHARGE-TRANSFER MECHANISM FOR NH3+HCL[--]NH4CL REACTION [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (07) :2323-&

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