Browse "CH-Journal Papers(저널논문)" by Type Article

Showing results 1321 to 1340 of 5763

1321
Density functional and ab initio study of Cr(CO)(n) (n=1-6) complexes

Kim, Joonghan; Kim, Tae Kyu; Kim, Jangbae; Lee, Yoon Sup; Ihee, Hyotcherl, JOURNAL OF PHYSICAL CHEMISTRY A, v.111, no.21, pp.4697 - 4710, 2007-05

1322
Density Functional and Spin-Orbit Ab Initio Study of CF3Br: Molecular Properties and Electronic Curve Crossing

Kim, Joonghan; Kim, Tae Kyu; Ihee, Hyotcherl, JOURNAL OF PHYSICAL CHEMISTRY A, v.115, no.7, pp.1264 - 1271, 2011-02

1323
Density functional calculations of electronic structure and magnetic properties of the hydrocarbon K(3)picene superconductor near the metal-insulator transition

Kim, Minjae; Min, BI; Lee, Geunsik; Kwon, Hee Jae; Rhee, Young Min; Shim, Ji Hoon, PHYSICAL REVIEW B, v.83, no.21, 2011-06

1324
Density functional study of alpha-beta phase transition of polyvinylidene difluoride

Heo, Won-Joon; Kim, Won-June; Shin, Young-Han; Lee, Eok-Kyun, PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, v.6, no.5, pp.217 - 219, 2012-05

1325
Density Functional Theory Assessment of Molecular Structures and Energies of Neutral and Anionic Aln (n=2-10) Clusters

Paranthaman, Selvarengan; Hong, Kiryong; Kim, Joonghan; Kim, Dong Eon; Kim, Tae Kyu, JOURNAL OF PHYSICAL CHEMISTRY A, v.117, no.38, pp.9293 - 9303, 2013-09

1326
Density functional theory calculations for simple prototypes of perfluorocarbons: neutral and anionic c-C4F8 and 2-C4F8

Choi, Heechol; Park, Young Choon; Lee, Yoon Sup; Baeck, Kyoung Koo, JOURNAL OF FLUORINE CHEMISTRY, v.146, pp.46 - 52, 2013-02

1327
Density functional theory in classical explicit solvents: Mean-field QM/MM method for simulating solid-liquid interfaces

Jang, Taehwan; Paik, Dooam; Shin, Seung-Jae; Kim, Hyungjun, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.43, no.4, pp.476 - 483, 2022-04

1328
Density Functional Theory Study of Competitive Reaction Pathways of Ti+ with Fluorinated Acetone in the Gas Phase

Hong, Kiryong; Kim, Tae Kyu, JOURNAL OF THE KOREAN CHEMICAL SOCIETY-DAEHAN HWAHAK HOE JEE, v.56, no.1, pp.14 - 19, 2012-02

1329
Density functional theory study of redox pairs. 1. Dinuclear iron complexes that undergo multielectron redox reactions accompanied by a reversible structural change

Baik, Mu-Hyun; Ziegler, T; Schauer, CK, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.122, no.38, pp.9143 - 9154, 2000-09

1330
Density functional theory study of redox pairs: 2. Influence of solvation and ion-pair formation on the redox Behavior of cyclooctatetraene and nitrobenzene

Baik, Mu-Hyun; Schauer, CK; Ziegler, T, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.124, no.37, pp.11167 - 11181, 2002-09

1331
Density-dependent finite system-size effects in equilibrium molecular dynamics estimation of shear viscosity: Hydrodynamic and configurational study

Kim, Kang-Sahn; Kim, Changho; Karniadakis, George Em; Lee, Eok Kyun; Kozak, John J., JOURNAL OF CHEMICAL PHYSICS, v.151, no.10, 2019-09

1332
Density-functional calculations of defect formation energies using supercell methods: Defects in diamond

Shim, J; Lee, Eok Kyun; Lee, YJ; Nieminen, RM, PHYSICAL REVIEW B, v.71, no.3, 2005-01

1333
Density-functional calculations of defect formation energies using the supercell method: Brillouin-zone sampling

Shim, J; Lee, Eok Kyun; Lee, YJ; Nieminen, RM, PHYSICAL REVIEW B, v.71, no.24, 2005-06

1334
Deoxyribozyme-loaded nano-graphene oxide for simultaneous sensing and silencing of the hepatitis C virus gene in liver cells

Kim, Seong-Chan; Ryoo, Soo-Ryoon; Na, Hee-Kyung; Kim, Young-Kwan; Choi, Byong-Seok; Lee, Younghoon; Kim, Dong-Eun; et al, CHEMICAL COMMUNICATIONS, v.49, no.74, pp.8241 - 8243, 2013-10

1335
Dependence of the electrochemical behavior of poly(N-phenylpyrrole) films on the type of anion and solvent used in the electropolymerization

Lee, H; Yang, H; Kwak, Juhyoun, JOURNAL OF PHYSICAL CHEMISTRY B, v.103, no.29, pp.6030 - 6035, 1999-07

1336
Deposition of iron nanoparticles onto multiwalled carbon nanotubes by helicon plasma-enhanced, chemical vapor deposition

Yoon, OJ; Kang, SM; Moon, SM; Jung, JK; Choi, Insung; Yoon, KR, JOURNAL OF NON-CRYSTALLINE SOLIDS, v.353, no.11-12, pp.1208 - 1211, 2007-05

1337
Derivation of the WLF Equation from the Theory of Rate Process

T. Ree; 전무식, 대한화학회지, v.14, no.1, pp.45 - 48, 1970-03

1338
DERIVATIVES OF TETRATHIOVANADATE(V) - SYNTHESIS OF THE LINEAR HETEROMETALLIC FE(MU-2-S)2V(MU-2-S)2FE CORE AND THE STRUCTURES OF [VS4]3- AND [VFE2S4CL4]3-

Do, Youngkyu; SIMHON, ED; HOLM, RH, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.105, no.22, pp.6731 - 6732, 1983

1339
Design and evolution of new catalytic activity with an existing protein scaffold

Park, Hee-Sung; Nam, Sung-Hun; Lee, Jin Kak; Yoon, Chang No; Mannervik, Bengt; Kim, Hak-Sung, SCIENCE, v.311, no.5760, pp.535 - 538, 2006-01

1340
Design and fabrication of integrated passive valves and pumps for flexible polymer 3-dimensional microfluidic systems

Jeon, NL; Chiu, DT; Wargo, CJ; Wu, HK; Choi, Insung; Anderson, JR; Whitesides, GM, BIOMEDICAL MICRODEVICES, v.4, no.2, pp.117 - 121, 2002-05

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