ONIOM calculations for electronic excited states

被引：0
|
作者：
Caricato, Marco [1 ]
机构：
[1] Gaussian Inc, Wallingford, CT USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2011年 / 241卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
278-COMP
引用
收藏
页数：1
相关论文
共 50 条
  • [1] Point charge embedding for ONIOM excited states calculations
    Biancardi, Alessandro
    Barnes, Jeremy
    Caricato, Marco
    JOURNAL OF CHEMICAL PHYSICS, 2016, 145 (22):
  • [2] SEMIEMPIRICAL CALCULATIONS ON EXCITED ELECTRONIC STATES
    SAATZER, P
    GORDON, MS
    KOOB, RD
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1973, (AUG26): : 61 - 61
  • [3] Oscillator Strengths in ONIOM Excited State Calculations
    Caricato, Marco
    Vreven, Thom
    Trucks, Gary W.
    Frisch, Michael J.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2011, 7 (01) : 180 - 187
  • [4] Calculations on the electronic excited states of ureas and oligoureas
    Oakley, Mark T.
    Guichard, Gilles
    Hirst, Jonathan D.
    JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111 (12): : 3274 - 3279
  • [5] MRCI calculations for BeCl electronic excited states
    Liu Dong-Mei
    Zhang Shu-Dong
    ACTA PHYSICA SINICA, 2012, 61 (03)
  • [6] CAS calculations of excited electronic states in the vinylidene anion
    Hou, XJ
    Huang, MB
    CHEMICAL PHYSICS LETTERS, 2003, 379 (5-6) : 526 - 533
  • [7] ABINITIO CALCULATIONS ON THE GROUND AND EXCITED ELECTRONIC STATES OF KRH
    THEODORAKOPOULOS, G
    PETSALAKIS, ID
    CHEMICAL PHYSICS LETTERS, 1988, 149 (02) : 196 - 200
  • [8] CASSCF calculations for excited states of large molecules: Choosing when to use the RASSCF, ONIOM and MMVB approximations
    Bearpark, Michael J.
    Ogliaro, Francois
    Vreven, Thom
    Boggio-Pasqua, Martial
    Frisch, Michael J.
    Larkin, Susan M.
    Robb, Michael A.
    COMPUTATION IN MODERN SCIENCE AND ENGINEERING VOL 2, PTS A AND B, 2007, 2 : 583 - +
  • [9] CALCULATIONS OF STATIC POLARIZABILITIES OF EVEN POLYENES IN EXCITED ELECTRONIC STATES
    KANEV, I
    TASSEVA, M
    MARUANI, J
    ZYSS, J
    COMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE II, 1994, 318 (03): : 305 - 310
  • [10] Link atom bond length effect in ONIOM excited state calculations
    Caricato, Marco
    Vreven, Thom
    Trucks, Gary W.
    Frisch, Michael J.
    JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (05):
12345