Theory and experiment in mass spectrometry: a perspective on the relationship between computational modelling and experiment in gas-phase ion chemistry

被引:9
|
作者
Uggerud, Einar [1 ]
机构
[1] Univ Oslo, Dept Chem, N-0315 Oslo, Norway
关键词
computational chemistry; quantum chemistry; mass spectrometry; ion chemistry; kinetics; mechanism;
D O I
10.1255/ejms.831
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
In this lecture/paper we will discuss the somewhat complicated relationship between theory and experiment in molecular science in general and mass spectrometry in particular, illustrated by some recent literature examples.
引用
收藏
页码:97 / 100
页数:4
相关论文
共 50 条
  • [1] Gas-phase actinide ion chemistry: Uniting experiment and theory
    Gibson, John K.
    Marcalo, Joaquim
    Michelini, Maria C.
    Russo, Nino
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 238
  • [2] Theory meets experiment: Gas-phase chemistry of coinage metals
    Roithova, Jana
    Schroeder, Dedef
    COORDINATION CHEMISTRY REVIEWS, 2009, 253 (5-6) : 666 - 677
  • [3] Measuring Gas-Phase Basicities Relative to the Lithium Cation by Mass Spectrometry: A Physical Chemistry Experiment
    Gal, Jean-Francois
    Mayeux, Charly
    Massi, Lionel
    Major, Mohamed
    Charles, Laurence
    Haljasorg, Toiv
    JOURNAL OF CHEMICAL EDUCATION, 2012, 89 (11) : 1476 - 1478
  • [5] Foreword - Gas phase ion chemistry: A fruitful playground for the interplay between experiment and theory
    Hase, WL
    Koch, W
    INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2000, 201 (1-3) : IX - X
  • [6] GAS-PHASE RECOMBINATION OF HYDROGEN - COMPARISON BETWEEN THEORY AND EXPERIMENT
    SHUI, VH
    APPLETON, JP
    JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (07): : 3126 - &
  • [7] Hydration of gas-phase ytterbium ion complexes studied by experiment and theory
    Rutkowski, Philip X.
    Michelini, Maria C.
    Bray, Travis H.
    Russo, Nino
    Marcalo, Joaquim
    Gibson, John K.
    THEORETICAL CHEMISTRY ACCOUNTS, 2011, 129 (3-5) : 575 - 592
  • [8] KINETICS OF ION MOLECULE COLLISION COMPLEXES IN THE GAS-PHASE - EXPERIMENT AND THEORY
    BOWERS, MT
    JARROLD, MF
    WAGNERREDEKER, W
    KEMPER, PR
    BASS, LM
    FARADAY DISCUSSIONS, 1983, 75 : 57 - 76
  • [9] Hydration of gas-phase ytterbium ion complexes studied by experiment and theory
    Philip X. Rutkowski
    Maria C. Michelini
    Travis H. Bray
    Nino Russo
    Joaquim Marçalo
    John K. Gibson
    Theoretical Chemistry Accounts, 2011, 129 : 575 - 592
  • [10] Evolution of instrumentation for the study of gas-phase ion/ion chemistry via mass spectrometry
    Xia, Yu
    McLuckey, Scott A.
    JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 2008, 19 (02) : 173 - 189