THEORETICAL INVESTIGATION OF LI AND BE ATOM COMPLEXES WITH H2O

被引：39

作者：

CURTISS, LA ^{[1
]}

POPLE, JA ^{[1
]}

机构：

[1] CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 82卷 / 09期

关键词：

D O I：

10.1063/1.448838

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：4230 / 4235

页数：6

共 20 条

[1] ABINITIO CALCULATION OF THE STRUCTURES AND PROPERTIES OF SOME LITHIUM-LEWIS BASE COMPLEXES [J].

BENTLEY, J ;

CARMICHAEL, I .

JOURNAL OF PHYSICAL CHEMISTRY, 1981, 85 (25) :3821-3826

[2] ABINITIO STUDIES OF DONOR-ACCEPTOR COMPLEXES BETWEEN WATER AND VARIOUS ATOMS [J].

BENTLEY, J .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (10) :2754-2759

[3] MOLECULAR-ORBITAL CALCULATION OF SOME VIBRATIONAL PROPERTIES OF COMPLEX BETWEEN HCN AND HF [J].

CURTISS, LA ;

POPLE, JA .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1973, 48 (03) :413-426

[4] ABINITIO MOLECULAR-ORBITAL CALCULATIONS ON BERYLLIUM AND MAGNESIUM ATOM REACTIONS WITH WATER [J].

CURTISS, LA ;

FRURIP, DJ .

CHEMICAL PHYSICS LETTERS, 1980, 75 (01) :69-74

[5] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .25. SUPPLEMENTARY FUNCTIONS FOR GAUSSIAN-BASIS SETS [J].

FRISCH, MJ ;

POPLE, JA ;

BINKLEY, JS .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (07) :3265-3269

[6]

HAUGE RH, 1982, ACS SYM SER, V179, P363

[7] MATRIX-ISOLATION IR AND EPR STUDIES OF REACTION INTERMEDIATES - LITHIUM ATOM REACTIONS WITH H2O, CH3OH, AND NH3 [J].

HAUGE, RH ;

MEIER, PF ;

MARGRAVE, JL .

BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1978, 82 (01) :102-103

[8]

JORDAN KD, 1982, ACS SYM SER, V179, P377

[9] EFFECT OF IONIC CHARGE ON ENERGY CONTRIBUTIONS TO THE INTERACTION OF AN ION WITH A POLAR MOLECULE - ABINITIO CALCULATIONS FOR M...H2O (M=MG,MG+,MG-2+,CA,CA+,CA-2+) [J].

KOCHANSKI, E ;

PRISSETTE, J .

CHEMICAL PHYSICS LETTERS, 1981, 80 (03) :564-568

[10] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS [J].

KRISHNAN, R ;

BINKLEY, JS ;

SEEGER, R ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) :650-654

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