STRUCTURE OF SULFUR CLUSTERS USING SIMULATED ANNEALING - S-2 TO S-13

被引：238

作者：

HOHL, D ^{[1
]}

JONES, RO ^{[1
]}

CAR, R ^{[1
]}

PARRINELLO, M ^{[1
]}

机构：

[1] SCUOLA INT SUPER STUDI AVANZATI, I-34014 TRIESTE, ITALY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 89卷 / 11期

关键词：

D O I：

10.1063/1.455356

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：6823 / 6835

页数：13

共 85 条

[1]

AHLRICHS R, COMMUNICATION

[2] NONLOCAL PSEUDOPOTENTIALS IN MOLECULAR-DYNAMIC DENSITY-FUNCTIONAL THEORY - APPLICATION TO SIO2 [J].

ALLAN, DC ;

TETER, MP .

PHYSICAL REVIEW LETTERS, 1987, 59 (10) :1136-1139

[3]

[Anonymous], ADV MASS SPECTROM

[4] PSEUDOPOTENTIALS THAT WORK - FROM H TO PU [J].

BACHELET, GB ;

HAMANN, DR ;

SCHLUTER, M .

PHYSICAL REVIEW B, 1982, 26 (08) :4199-4228

[5] MNDO STUDY OF CATENATED SULFUR - THE MOLECULES AND IONS S3 TO S8 [J].

BAIRD, NC .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1984, 5 (01) :35-43

[6] EQUILIBRIUM STRUCTURES AND FINITE TEMPERATURE PROPERTIES OF SILICON MICROCLUSTERS FROM ABINITIO MOLECULAR-DYNAMICS CALCULATIONS [J].

BALLONE, P ;

ANDREONI, W ;

CAR, R ;

PARRINELLO, M .

PHYSICAL REVIEW LETTERS, 1988, 60 (04) :271-274

[7] EQUILIBRIUM COMPOSITION OF SULFUR VAPOR [J].

BERKOWITZ, J ;

MARQUART, JR .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (02) :275-&

[8] PE SPECTRA OF SIGMA-BONDED MOLECULES .6. PHOTOELECTRON SPECTRUM AND STRUCTURE OF SULFUR IN GAS-PHASE AT 140 DEGREES C [J].

BOSCHI, R ;

SCHMIDT, W .

INORGANIC & NUCLEAR CHEMISTRY LETTERS, 1973, 9 (06) :643-648

[9] PREPARATION AND CRYSTAL-STRUCTURES OF COMPOUNDS CONTAINING THE (TEXS6-X)-S-2+ AND (TEXSE6-X)-SE-2+ CATIONS [J].

BURNS, RC ;

COLLINS, MJ ;

EICHER, SM ;

GILLESPIE, RJ ;

SAWYER, JF .

INORGANIC CHEMISTRY, 1988, 27 (10) :1807-1813

[10] STRUCTURAL, DYNAMICAL, AND ELECTRONIC-PROPERTIES OF AMORPHOUS-SILICON - AN ABINITIO MOLECULAR-DYNAMICS STUDY [J].

CAR, R ;

PARRINELLO, M .

PHYSICAL REVIEW LETTERS, 1988, 60 (03) :204-207

← 1 2 3 4 5 6 7 8 9 →