DSpace at KOASAS
Browsing DSpace

Browse "CH-Journal Papers(저널논문)" by Subject DENSITY FUNCTIONALS

A to Z

All 0-9

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

or enter first few letters:

Showing results 1 to 9 of 9

1
A Redox Non-Innocent Ligand Controls the Life Time of a Reactive Quartet Excited State - An MCSCF Study of [Ni(H)(OH)](+)

Dede, Yavuz; Zhang, Xinhao; Schlangen, Maria; Schwarz, Helmut; Baik, Mu-Hyun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.131, no.35, pp.12634 - 12642, 2009-09

2
Efficient prediction of reaction paths through molecular graph and reaction network analysis

Kim, Yeonjoon; Kim, Jin Woo; Kim, Zeehyo; Kim, Woo Youn, CHEMICAL SCIENCE, v.9, no.4, pp.825 - 835, 2018-01

3
Efficient structural elucidation of microhydrated biomolecules through the interrogation of hydrogen bond networks

Kim, Yeonjoon; Kim, Jaewook; Baek, Kyung Yup; Kim, Woo Youn, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.20, no.12, pp.8185 - 8191, 2018-03

4
Formation of the Charge-Localized Dimer Radical Cation o 2-Ethyl-9,10-dimethoxyanthracene in Solution Phase

Choi, Jungkweon; Ahn, Doo-Sik; Fujitsuka, Mamoru; Tojo, Sachiko; Ihee, Hyotcherl; Majima, Tetsuro, CHEMISTRY-A EUROPEAN JOURNAL, v.25, no.21, pp.5586 - 5594, 2019-04

5
Intramolecular ring-opening from a CO2-derived nucleophile as the origin of selectivity for 5-substituted oxazolidinone from the (salen)Cr-catalyzed [aziridine + CO2] coupling

Adhikari, Debashis; Miller, Aaron W.; Baik, Mu-Hyun; Nguyen, SonBinh T., CHEMICAL SCIENCE, v.6, no.2, pp.1293 - 1300, 2015

6
Non-Covalent Self-Assembly and Covalent Polymerization Co-Contribute to Polydopamine Formation

Hong, Seonki; Na, Yun Suk; Choi, Sunghwan; Song, In Taek; Kim, Woo Youn; Lee, Haeshin, ADVANCED FUNCTIONAL MATERIALS, v.22, no.22, pp.4711 - 4717, 2012-11

7
On the Mechanism of Irreversible Carbon Dioxide Binding with a Frustrated Lewis Pair: Solvent-Assisted Frustration and Transition-State Entropic Encouragement

Kwon, Hee Jae; Kim, Hyun Woo; Rhee, Young Min, CHEMISTRY-A EUROPEAN JOURNAL, v.17, no.23, pp.6501 - 6507, 2011-05

8
Synthesis of 2-Benzazepines from Benzylamines and MBH Adducts Under Rhodium(III) Catalysis via C(sp(2))-H Functionalization

Pandey, Ashok Kumar; Han, Sang Hoon; Mishra, Neeraj Kumar; Kang, Dahye; Lee, Suk Hun; Chun, Rina; Hong, Sungwoo; et al, ACS CATALYSIS, v.8, no.1, pp.742 - 746, 2018-01

9
Theoretical study of the extremely small torsional barriers of thiophenol in the ground and the first excited electronic states

Choi, Heechol; Park, Young Choon; Lee, Yoon Sup; An, Heesun; Baeck, Kyoung Koo, CHEMICAL PHYSICS LETTERS, v.580, pp.32 - 36, 2013-08

Discover

Type

Open Access

Date issued

. next

rss_1.0 rss_2.0 atom_1.0