Scholarworks@UNIST

UNIST Library
Search

Browsing by Keyword : CORRELATION-ENERGY

All A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
가 나 다 라 마 바 사 아 자 차 카 타 파 하
Sort by: In order: Results/Page Etal:

Showing results 1 to 7 of 7

Halogen-pi Interactions between Benzene and X-2/CX4 (X = Cl, Br): Assessment of Various Density Functionals with Respect to CCSD(T) File

Youn, Il Seung , Kim, Dong Yeon , Cho, Woo Jong , Madridejos, Jenica Marie L. , Lee, Han Myoung , Kolaski, Maciej , Lee, Joonho , Baig, Chunggi , Shin, Seung Koo , Filatov, Michael , et al

Article Issue Date2016-11 View3
Investigating Superoxide Transfer through a mu-1,2-O-2 Bridge between Nonheme Ni-III-Peroxo and Mn-II Species by DFT Methods to Bridge Theoretical and Experimental Views File

Cho, Kyung-Bin , Cho, Jaeheung , Shaik, Sason , Nam, Wonwoo

Article Issue Date2014-07 View3
Ligand Topology Effect on the Reactivity of a Mononuclear Nonheme Iron(IV)-Oxo Complex in Oxygenation Reactions File

Hong, Seungwoo , Lee, Yong-Min , Cho, Kyung-Bin , Sundaravel, Karuppasamy , Cho, Jaeheung , Kirn, Myoung Jin , Shin, Woonsup , Nam, Wonwoo

Article Issue Date2011-08 View5
Molecular Tethering or Aggregation: Is the Existence of Charge-Transfer Bands Indicative of the Formation of Blue-Box/Tetrathiafulvalene Inclusion Complexes? File

Tejerina, Baudilio , Gothard, Chris M. , Grzybowski, Bartosz A.

Article Issue Date2012-04 View5
Self-consistent implementation of ensemble density functional theory method for multiple strongly correlated electron pairs File

Filatov, Michael , Liu, Fang , Kim, Kwang S. , Martínez, Todd J.

Article Issue Date2016-12 View5
Spectroscopic and Computational Studies of a Series of High-Spin Ni(II) Thiolate Complexes File

Van Heuvelen, Katherine M. , Cho, Jaeheung , Dingee, Timothy , Riordan, Charles G. , Brunold, Thomas C.

Article Issue Date2011-07 View2
Spectroscopic and Computational Studies of a μ-η2:η2-Disulfido-Bridged Dinickel(II) Species, [{(PhTttBu)Ni}2(μ-η2:η2-S2)]: Comparison of Side-On Disulfido and Peroxo Bonding in (NiII)2and (CuII)2Species File

Van Heuvelen, Katherine M. , Cho, Jaeheung , Riordan, Charles G. , Brunold, Thomas C.

Article Issue Date2010-04 View4
1
STATISTICS
Total View :281,924
Total Download :12,263
Today View :1,220

RSS 1.0 RSS 2.0

CONTACT US

UNIST | Library

Tel : 052-217-1404 / Email : scholarworks@unist.ac.kr

Copyright (c) 2023 by UNIST LIBRARY. All rights reserved.

ScholarWorks@UNIST was established as an OAK Project for the National Library of Korea.