Molecular modeling in mineralogy and geochemistry

被引：72

作者：

Cygan, RT ^{[1
]}

机构：

[1] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA

来源：

MOLECULAR MODELING THEORY: APPLICATIONS IN THE GEOSCIENCES | 2001年 / 42卷

关键词：

D O I：

10.2138/rmg.2001.42.1

中图分类号：

P3 [地球物理学]; P59 [地球化学];

学科分类号：

0708 ; 070902 ;

摘要：

[No abstract available]

引用

页码：1 / 35

页数：35

共 162 条

[1] THERMODYNAMIC AND ELASTIC PROPERTIES OF A MANY-BODY MODEL FOR SIMPLE OXIDES [J].

AGNON, A ;

BUKOWINSKI, MST .

PHYSICAL REVIEW B, 1990, 41 (11) :7755-7766

[2] Simulation of layered double hydroxide intercalates [J].

Aicken, AM ;

Bell, IS ;

Coveney, PV ;

Jones, W .

ADVANCED MATERIALS, 1997, 9 (06) :496-&

[3]

Allen M. P., 1987, Computer Simulation of Liquids

[4]

BADER RFW, 1990, ATOMS MOL, V22

[5] TECHNIQUES FOR GEOMETRY OPTIMIZATION - A COMPARISON OF CARTESIAN AND NATURAL INTERNAL COORDINATES [J].

BAKER, J .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1993, 14 (09) :1085-1100

[6] MOLECULAR-DYNAMICS OF STISHOVITE MELTING [J].

BELONOSHKO, AB ;

DUBROVINSKY, LS .

GEOCHIMICA ET COSMOCHIMICA ACTA, 1995, 59 (09) :1883-1889

[7] MECHANISM OF ADSORPTION AND DESORPTION OF WATER-VAPOR BY HOMOIONIC MONTMORILLONITES .2. THE LI+, NA+, K+, RB+ AND CS+-EXCHANGED FORMS [J].

BEREND, I ;

CASES, JM ;

FRANCOIS, M ;

URIOT, JP ;

MICHOT, L ;

MASION, A ;

THOMAS, F .

CLAYS AND CLAY MINERALS, 1995, 43 (03) :324-336

[8]

Billing G. D., 2000, Dynamics of Molecule Surface Interaction

[9]

BISH DL, 1984, AM MINERAL, V69, P1102

[10] Monte Carlo molecular modeling studies of hydrated Li-, Na-, and K-smectites: Understanding the role of potassium as a clay swelling inhibitor [J].

Boek, ES ;

Coveney, PV ;

Skipper, NT .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (50) :12608-12617

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