ON THE STRUCTURE, LATTICE ENERGY AND N-14 NUCLEAR-QUADRUPOLE COUPLING-CONSTANT OF SOLID HCN

被引:10
作者
CUMMINS, PL [1 ]
BACSKAY, GB [1 ]
HUSH, NS [1 ]
JONSSON, B [1 ]
机构
[1] AUSTRALIAN NATL UNIV,RES SCH PHYS SCI,DEPT APPL MATH,CANBERRA,ACT 2601,AUSTRALIA
关键词
D O I
10.1016/0009-2614(88)80198-2
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:399 / 406
页数:8
相关论文
共 34 条
[1]  
BACSKAY GB, IN PRESS J CHEM PHYS
[2]   CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].
BOYS, SF ;
BERNARDI, F .
MOLECULAR PHYSICS, 1970, 19 (04) :553-&
[3]   SOLID NITROGEN - NUCLEAR QUADRUPOLE RESONANCE STUDY [J].
BROOKEMAN, JR ;
MCENNAN, MM ;
SCOTT, TA .
PHYSICAL REVIEW B-SOLID STATE, 1971, 4 (10) :3661-+
[4]   A MODEL FOR THE GEOMETRIES OF VANDERWAALS COMPLEXES [J].
BUCKINGHAM, AD ;
FOWLER, PW .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1985, 63 (07) :2018-2025
[5]   MOLECULAR QUADRUPOLE MOMENTS [J].
BUCKINGHAM, AD .
QUARTERLY REVIEWS, 1959, 13 (03) :183-214
[6]   THE VIBRATIONAL GROUND-STATE ROTATIONAL SPECTROSCOPIC CONSTANTS AND STRUCTURE OF THE HCN DIMER [J].
BUXTON, LW ;
CAMPBELL, EJ ;
FLYGARE, WH .
CHEMICAL PHYSICS, 1981, 56 (03) :399-406
[7]   FINITE-FIELD MANY-BODY PERTURBATION-THEORY .10. ELECTRIC-FIELD GRADIENTS AND OTHER PROPERTIES OF N-2 [J].
CERNUSAK, I ;
DIERCKSEN, GHF ;
SADLEJ, AJ .
CHEMICAL PHYSICS, 1986, 108 (01) :45-59
[8]   ABINITIO QUANTUM CHEMICAL STUDIES OF THE ELECTRONIC-PROPERTIES OF THE HYDROGEN-BONDED N2-HF, N2-HCL, (HCN)2 AND NH3-HCN COMPLEXES [J].
CUMMINS, PL ;
BACSKAY, GB ;
HUSH, NS .
CHEMICAL PHYSICS, 1987, 115 (03) :325-337
[9]   THE EFFECTS OF INTERMOLECULAR INTERACTIONS ON THE ELECTRIC-FIELD GRADIENTS IN ICE AND LIQUID WATER - THE ROLE OF ELECTROSTATICS [J].
CUMMINS, PL ;
BACSKAY, GB ;
HUSH, NS .
MOLECULAR PHYSICS, 1987, 61 (04) :795-811
[10]   THE PREDICTION OF NUCLEAR-QUADRUPOLE MOMENTS FROM ABINITIO QUANTUM CHEMICAL STUDIES ON SMALL MOLECULES .1. THE ELECTRIC-FIELD GRADIENTS AT THE N-14 AND H-2 NUCLEI IN N-2, NO, NO+, CN, CN-, HCN, HNC, AND NH3 [J].
CUMMINS, PL ;
BACKSKAY, GB ;
HUSH, NS ;
AHLRICHS, R .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (12) :6908-6917