DSpace at KOASAS
Browsing DSpace

Browse "College of Natural Sciences(자연과학대학)" by Subject ab initio calculations

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 10 of 10

1
Ab initio calculations predicting the existence of an oxidized calcium dihydrogen complex to store molecular hydrogen in densities up to 100 g/L

Kim, Yong-Hyun; Sun, YY; Zhang, SB, PHYSICAL REVIEW B, v.79, no.11, 2009-03

2
Ab initio design of Ca-decorated organic frameworks for high capacity molecular hydrogen storage with enhanced binding

Sun, YY; Lee, K; Kim, Yong-Hyun; Zhang, SB, APPLIED PHYSICS LETTERS, v.95, no.3, 2009-07

3
An ab initio study of the ferroelectric In2Se3/graphene heterostructure

Ayadi, T.; Debbichi, L.; Badawi, M.; Said, M.; Kim, H.; Rocca, D.; Lebegue, S., PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, v.114, 2019-10

4
Dispersion-Oriented Soft Interaction in a Frustrated Lewis Pair and the Entropic Encouragement Effect in its Formation

Kim, Hyun Woo; Rhee, Young Min, CHEMISTRY-A EUROPEAN JOURNAL, v.15, no.48, pp.13348 - 13355, 2009

5
Electronic structures of oxygen-deficient Ta2O5

Yang, Yong; Nahm, Ho-Hyun; Sugino, Osamu; Ohno, Takahisa, AIP ADVANCES, v.3, no.4, 2013-04

6
First-principles prediction of an enhanced optical second-harmonic susceptibility of low-dimensional alkali-metal chalcogenides

Song, Jung-Hwan; Freeman, Arthur J.; Bera, Tarun K.; Chung, In; Kanatzidis, Mercouri G., PHYSICAL REVIEW B, v.79, no.24, 2009-06

7
Intramolecular orbital alignment observed in the photodissociation of [D-1]Thiophenol

Lim, Jeong Sik; Lim, Ivan S.; Lee, Kyoung-Seok; Ahn, Doo-Sik; Lee, Yoon Sup; Kim, Sangkyu, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.45, no.38, pp.6290 - 6293, 2006

8
Reconstruction and alignment of vacancies in carbon nanotubes

Lee, Alex Taekyung; Kang, Yong-Ju; Chang, Kee-Joo; Lee, In-Ho, PHYSICAL REVIEW B, v.79, pp.174105 - 174105, 2009-05

9
Structural distortion of pyridazine in the (1)(n,pi*) excited state: Evidence for local excitation

Choi, KW; Ahn, DS; Lee, S; Choi, H; Baeck, KK; Heo, SU; Baek, SJ; et al, CHEMPHYSCHEM, v.5, no.5, pp.737 - 739, 2004-05

10
Structure of pyridazine in the S-1 state: Experiment and theory

Ahn, Doo-Sik; Choi, Kyo-Won; Baek, Sun Jong; Choi, Young S.; Lee, Sungyul; Choi, Heechol; Baeck, Kyoung Koo; et al, CHEMPHYSCHEM, v.9, no.11, pp.1610 - 1616, 2008-08

Discover

rss_1.0 rss_2.0 atom_1.0