Browse by Subject GAUSSIAN-BASIS SETS

Showing results 24 to 31 of 31

24
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

25
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

26
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

27
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

28
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

29
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

30
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

31
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

rss_1.0 rss_2.0 atom_1.0