LOCATING TRANSITION-STATES USING DOUBLE-ENDED CLASSICAL TRAJECTORIES

被引：15
|
作者：
MATRO, A [1 ]
FREEMAN, DL [1 ]
DOLL, JD [1 ]
机构：
[1] BROWN UNIV,DEPT CHEM,PROVIDENCE,RI 02912
来源：
JOURNAL OF CHEMICAL PHYSICS | 1994年 / 101卷 / 12期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1063/1.467863
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：
In this paper we present a method for locating transition states and higher-order saddles on potential energy surfaces using double-ended classical trajectories. We then apply this method to 7- and 8-atom Lennard-Jones clusters, finding one previously unreported transition state for the 7-atom cluster and two for the 8-atom cluster. © 1994 American Institute of Physics.
引用
收藏
页码：10458 / 10463
页数：6
相关论文
共 50 条
  • [11] Measurement of liquid density using a double-ended tuning fork resonator
    Green, Emma
    Cheshmehdoost, Abdolreza
    Jones, Barry E.
    Measurement and Control, 1996, 29 (07): : 208 - 210
  • [12] An analysis of video signal using Double-ended mode in perspective of EMI
    Choi, Dong-Hoon
    Lee, Euibum
    Nam, TaeSik
    Yook, Jong-Gwan
    PROCEEDINGS OF THE 2021 ASIA-PACIFIC INTERNATIONAL SYMPOSIUM ON ELECTROMAGNETIC COMPATIBILITY (APEMC 2021), 2021,
  • [13] Measurement of liquid density using a double-ended tuning fork resonator
    Green, E
    Cheshmehdoost, A
    Jones, BE
    MEASUREMENT & CONTROL, 1996, 29 (07): : 208 - 210
  • [14] FORCE SENSOR USING DOUBLE-ENDED TUNING FORK QUARTZ CRYSTALS
    CHUANG, SS
    IEEE TRANSACTIONS ON SONICS AND ULTRASONICS, 1983, 30 (06): : 388 - 388
  • [15] LOCATING TRANSITION-STATES BY QUADRATIC IMAGE GRADIENT DESCENT ON POTENTIAL-ENERGY SURFACES
    SUN, JQ
    RUEDENBERG, K
    JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (03): : 2157 - 2167
  • [16] Surgical Outcomes of Endoscopic Conjunctivodacryocystorhinostomy Using a Castroviejo Double-Ended Lacrimal Dilator
    Woo, Minji
    Yang, Sungwon
    Park, Jinhwan
    Lee, Hwa
    Baek, Sehyun
    JOURNAL OF CRANIOFACIAL SURGERY, 2020, 31 (05) : 1449 - 1451
  • [17] Phase correction in measurement of gauge blocks using a new double-ended interferometer
    Ishii, Y
    RECENT DEVELOPMENTS IN OPTICAL GAUGE BLOCK METROLOGY, 1998, 3477 : 173 - 180
  • [18] SYNCHRONOUS-TRANSIT METHOD FOR DETERMINING REACTION PATHWAYS AND LOCATING MOLECULAR TRANSITION-STATES
    HALGREN, TA
    LIPSCOMB, WN
    CHEMICAL PHYSICS LETTERS, 1977, 49 (02) : 225 - 232
  • [19] ANALYSIS OF AN ENERGY MINIMIZATION METHOD FOR LOCATING TRANSITION-STATES ON POTENTIAL-ENERGY HYPERSURFACES
    LOHR, LL
    ROTHMAN, MJ
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1980, 180 (AUG): : 134 - PHYS
  • [20] ANALYSIS OF AN ENERGY MINIMIZATION METHOD FOR LOCATING TRANSITION-STATES ON POTENTIAL-ENERGY HYPERSURFACES
    ROTHMAN, MJ
    LOHR, LL
    CHEMICAL PHYSICS LETTERS, 1980, 70 (02) : 405 - 409
12345