one of many DOW chemicals serving American Industry
- 期刊名称Chemical & Engineering News
- 卷第27卷
- 期第13期
- 印刷ISSN0009-2347
- 电子ISSN2157-4936
- 文件大小43.03KB
- 发表时间1949-03-28
- DOI10.1021/cen-v027n013.p898
Theoretical Study of Fulleropyrrolidines by Density Functional and Time-Dependent Density Functional TheoryPetsalakis, I.D.; Tagmatarchis, N.; Theodorakopoulos, G. · 2007
Density Functional Theory || The Application of Periodic Density Functional Theory to the Study of Uranyl-Containing Materials: Thermodynamic Properties and StabilityGlossman-Mitnik, Daniel · 2019
Adsorption and Light Absorption Properties of 2-Anthroic Acid on Titania: a Density Functional Theory – Time-Dependent Density Functional Theory StudyManzhos, Sergei; Kotsis, Konstantinos · MRS Advances · 2016
Structure, aromaticity and reactivity of corannulene and its analogues: a conceptual density functional theory and density functional reactivity theory studyDeng, Youer; Yu, Donghai; Cao, Xiaofang; Liu, Lianghong; Rong, Chunying; Lu, Tian; Liu, Shubin · Molecular Physics · 2017
Structure, Spectroscopy, and Reactivity Properties of Porphyrin Pincers: A Conceptual Density Functional Theory and Time-Dependent Density Functional Theory StudyHuang, Ying; Zhong, Aiguo; Rong, Chunying; Xiao, Xiaoming; Liu, Shubin · The Journal of Physical Chemistry A · 2008
Exploring odd‐even effects of simple oligomer‐like DRCNnT series: a study based on density functional theory/time‐dependent density functional theory calculationsWang, Wenjing; Zheng, Shaohui · International Journal of Quantum Chemistry · 2019
Density functional theory study ofG. Bilalbegović · 2007
Density functional theory study of allopurinolChong, Delano P. · Canadian Journal of Chemistry · 2013
Density Functional Theory Predictions of Isotropic Hyperfine Coupling ConstantsHermosilla, L.; Calle, P.; García de la Vega, J. M.; Sieiro, C. · The Journal of Physical Chemistry A · 2005
Theoretical Isotropic Hyperfine Coupling Constants of Third-Row Nuclei ( <sup>29</sup> Si, <sup>31</sup> P, and <sup>33</sup> S)Hermosilla, L.; Calle, P.; García de la Vega, J. M.; Sieiro, C. · The Journal of Physical Chemistry A · 2005
Chiroptical Spectroscopy of SurfactantsPolavarapu, Prasad L.; Vijay, R. · The Journal of Physical Chemistry A · 2012
Vibrational Analysis of UreaKeuleers, R.; Desseyn, H. O.; Rousseau, B.; Van Alsenoy, C. · The Journal of Physical Chemistry A · 1999
Molecular Structure of ThioureaPuzzarini, Cristina · The Journal of Physical Chemistry A · 2012
Asphaltene Molecular Size and StructureGroenzin, Henning; Mullins, Oliver C. · The Journal of Physical Chemistry A · 1999
Blue-Shifting Hydrogen BondsHermansson, Kersti · The Journal of Physical Chemistry A · 2002
Electronegativity: Chemical Hardness IReed, James L. · The Journal of Physical Chemistry A · 1997
Electronegativity: Chemical Hardness IIReed, James L. · The Journal of Physical Chemistry A · 1997
Demystifying an Electrochemical OscillatorRudolph, Manfred; Hromadova, Magdalena; de Levie, Robert · The Journal of Physical Chemistry A · 1998