Browse by Subject GAUSSIAN-BASIS SETS
Showing results 17 to 31 of 31
| Ni adsorption on Stone-Wales defect sites in single-wall carbon nanotubes Yang, Seong-Ho; Shin, Weon-Ho; Kang, Jeung-Ku, JOURNAL OF CHEMICAL PHYSICS, v.125, pp.643 - 645, 2006-08 |
| Ni-dispersed fullerenes: Hydrogen storage and desorption properties Shin, Weon-Ho; Yang, Seong-Ho; Goddard, William A.; Kang, Jeung-Ku, APPLIED PHYSICS LETTERS, v.88, no.5, 2006-01 |
| NRVS Studies of the Peroxide Shunt Intermediate in a Rieske Dioxygenase and Its Relation to the Native Fe-II O-2 Reaction Sutherlin, Kyle D.; Rivard, Brent S.; Bottger, Lars H.; Liu, Lei V.; Rogers, Melanie S.; Srnec, Martin; Park, Kiyoung; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.140, no.16, pp.5544 - 5559, 2018-04 |
| Nuclear Resonance Vibrational Spectroscopy Definition of O-2 Intermediates in an Extradiol Dioxygenase: Correlation to Crystallography and Reactivity Sutherlin, Kyle D.; Wasada-Tsutsui, Yuko; Mbughuni, Michael M.; Rogers, Melanie S.; Park, Kiyoung; Liu, Lei V.; Kwak, Yeonju; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.140, no.48, pp.16495 - 16513, 2018-12 |
| Peroxide Activation for Electrophilic Reactivity by the Binuclear Non-heme Iron Enzyme AurF Park, Kiyoung; Li, Ning; Kwak, Yeonju; Srnec, Martin; Bell, Caleb B.; Liu, Lei V.; Wong, Shaun D.; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.139, no.20, pp.7062 - 7070, 2017-05 |
| Photodissociation reaction of 1,2-diiodoethane in solution: A theoretical and X-ray diffraction study Kong, Qingyu; Kim, Joonghan; Lorenc, M; Kim, Tae Kyu; Ihee, Hyotcherl; Wulff, M, JOURNAL OF PHYSICAL CHEMISTRY A, v.109, no.45, pp.10451 - 10458, 2005-11 |
| Predictions of the sulfur and carbon kinetic isotope effects in the OH plus OCS reaction Schmidt, J. A.; Johnson, M. S.; Jung, Yousung; Danielache, S. O.; Hattori, S.; Yoshida, N., CHEMICAL PHYSICS LETTERS, v.531, pp.64 - 69, 2012-04 |
| Redox Cofactor from Biological Energy Transduction as Molecularly Tunable Energy-Storage Compound Lee, Minah; Hong, Jihyun; Seo, Dong-Hwa; Nam, Dong Heon; Nam, Ki Tae; Kang, Kisuk; Park, Chan Beum, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.52, no.32, pp.8322 - 8328, 2013-08 |
| Regioselective Oxidation of C-H Bonds in Unactivated Alkanes by a Vanadium Superoxo Catalyst Bound to a Supramolecular Host Sundararajan, Mahesh; Park, Bohyun; Baik, Mu-Hyun, INORGANIC CHEMISTRY, v.58, no.23, pp.16250 - 16255, 2019-12 |
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package Epifanovsky, Evgeny; Gilbert, Andrew T. B.; Feng, Xintian; Lee, Joonho; Mao, Yuezhi; Mardirossian, Narbe; Pokhilko, Pavel; et al, JOURNAL OF CHEMICAL PHYSICS, v.155, no.8, 2021-08 |
| Spectroscopic constants of Pb and Eka-lead compounds: comparison of different approaches Liu, Wenjian; van Wuellen, Christoph; Han, Young Kyu; Choi, Yoon Jeong; Lee, Yoon Sup, ADVANCES IN QUANTUM CHEMISTRY, VOL 39: NEW PERSPECTIVES IN QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, PT 1 BOOK SERIES: ADVANCES IN QUANTUM CHEMISTRY, v.39, pp.355 - 1, 2001 |
| Spin-state crossover in photo-catalyzed nitrile dihydroboration via Mn-thiolate cooperation Elsby, Matthew R.; Oh, Changjin; Son, Mina; Kim, Scott Y. H.; Baik, Mu-Hyun; Baker, R. Tom, CHEMICAL SCIENCE, v.13, no.42, pp.12550 - 12559, 2022-10 |
| Switching Chemoselectivity Based on the Ring Size: How to Make Ring-Fused Indoles Using Transition-Metal-Mediated Cross-Coupling Kim, Jang-Yeop; Lee, Woojong; Kang, Hyung-Joon; Jeon, Tae-Hong; Baik, Mu-Hyun; Cho, Cheon-Gyu, ACS CATALYSIS, v.11, no.20, pp.12821 - 12832, 2021-10 |
| Theoretical study of the chemical vapor deposition of (100) silicon from silane Kang, Jeung Ku; Musgrave, CB, PHYSICAL REVIEW B, v.64, no.24, 2001-12 |
| Two-Component Spin-orbit Effective Core Potential Calculations with an All-electron Relativistic Program DIRAC Park, Young-Choon; Lim, Ivan S.; Lee, Yoon-Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.33, no.3, pp.803 - 808, 2012-03 |
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