화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 SSAIMS-Stochastic-Selection Ab Initio Multiple Spawning for Efficient Nonadiabatic Molecular Dynamics
Curchod BFE, Glover WJ, Martinez TJ
Journal of Physical Chemistry A, 124(30), 6133, 2020
2 Prediction of Excited-State Properties of Oligoacene Crystals Using Fragment-Based Quantum Mechanical Method
Liu JF, Sun H, Glover WJ, He X
Journal of Physical Chemistry A, 123(26), 5407, 2019
3 Role of Rydberg States in the Photochemical Dynamics of Ethylene
Mori T, Glover WJ, Schuurman MS, Martinez TJ
Journal of Physical Chemistry A, 116(11), 2808, 2012
4 Simulating the Formation of Sodium: Electron Tight-Contact Pairs: Watching the Solvation of Atoms in Liquids One Molecule at a Time
Glover WJ, Larsen RE, Schwartz BJ
Journal of Physical Chemistry A, 115(23), 5887, 2011
5 Nature of Sodium Atoms/(Na+, e(-)) Contact Pairs in Liquid Tetrahydrofuran
Glover WJ, Larsen RE, Schwartz BJ
Journal of Physical Chemistry B, 114(35), 11535, 2010
6 Does the Hydrated Electron Occupy a Cavity?
Larsen RE, Glover WJ, Schwartz BJ
Science, 329(5987), 65, 2010
7 The structure of the hydrated electron. Part 2. A mixed quantum/classical molecular dynamics embedded cluster density functional theory: Single-excitation configuration interaction study
Shkrob IA, Glover WJ, Larsen RE, Schwartz BJ
Journal of Physical Chemistry A, 111(24), 5232, 2007
8 Raman spectra of ionic liquids: A simulation study of LaCl3 and its mixtures with alkali chlorides
Glover WJ, Madden PA
Journal of Chemical Physics, 121(15), 7293, 2004