DEUTERON QUADRUPOLE COUPLING IN HYDROGEN-BONDED MOLECULES .5. RELATIONSHIP OF EXPERIMENT TO THEORY

被引:22
作者
CLYMER, JW [1 ]
GOLDSTEIN, N [1 ]
RAGLE, JL [1 ]
REED, EL [1 ]
机构
[1] UNIV MASSACHUSETTS,DEPT CHEM,AMHERST,MA 01003
关键词
D O I
10.1063/1.443578
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:4535 / 4547
页数:13
相关论文
共 38 条
[1]   MCSCF CALCULATIONS OF PROPERTIES OF HYDROGEN-FLUORIDE [J].
AMOS, RD .
MOLECULAR PHYSICS, 1978, 35 (06) :1765-1775
[2]   RELATIONSHIPS BETWEEN VIBRATIONAL FORCE CONSTANTS AND QUADRUPOLE COUPLING CONSTANTS FOR MOLECULES AND SOLIDS [J].
ANDERSON, AB ;
HANDY, NC ;
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (08) :3634-&
[3]   CRYSTAL STRUCTURE OF TEREPHTHALIC ACID [J].
BAILEY, M ;
BROWN, CJ .
ACTA CRYSTALLOGRAPHICA, 1967, 22 :387-&
[4]   CALCULATIONS OF DEUTERIUM QUADRUPOLE COUPLING-CONSTANTS EMPLOYING SEMI-EMPIRICAL MOLECULAR-ORBITAL THEORY [J].
BARFIELD, M ;
GOTTLIEB, HPW ;
DODDRELL, DM .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10) :4504-4515
[5]   STUDY ON RATATIONAL SPECTRUM OF FORMIC ACID MOLECULE - STUDY ON ISOTOPIC SUBSTITUTIONS - USE FOR DETERMINATION OF MOLECULAR STRUCTURE [J].
BELLET, J ;
DELDALLE, A ;
SAMSON, C ;
STEENBECKELIERS, G ;
WERTHEIMER, R .
JOURNAL OF MOLECULAR STRUCTURE, 1971, 9 (1-2) :65-+
[6]   STUDIES IN CONFIGURATION INTERACTION - FIRST-ROW DIATOMIC HYDRIDES [J].
BENDER, CF ;
DAVIDSON, ER .
PHYSICAL REVIEW, 1969, 183 (01) :23-&
[7]  
BROSNAN SGP, UNPUB J MAG RESON
[8]  
CADE PE, 1964, UNPUB
[9]   ISOPHTHALIC ACID [J].
DERISSEN, JL .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1974, 30 (NOV15) :2764-2765
[10]   SYSTEMATIC STUDY OF 9 HYDROGEN-BONDED DIMERS INVOLVING NH3, OH2, AND HF [J].
DILL, JD ;
ALLEN, LC ;
TOPP, WC ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (25) :7220-7226