Resultados de búsqueda - Density functionals

Photophysics of Threaded sp-Carbon Chains: The Polyyne is a Sink for Singlet and Triplet Excitation. por Movsisyan, Levon D., Peeks, Martin D., Greetham, Gregory M., Towrie, Michael, Thompson, Amber L., Parker, Anthony W., Anderson, Harry L.

Ver este registro en EBSCOhost

Tailoring Porphyrin-Based Electron Accepting Materials for Organic Photovoltaics. por Rawson, Jeff, Stuart, Andrew C., Wei You, Therien, Michael J.

Ver este registro en EBSCOhost

Carbon Nanodots: Toward a Comprehensive Understanding of Their Photoluminescence. por Strauss, Volker, Margraf, Johannes T., Dolle, Christian, Butz, Benjamin, Nacken, Thomas J., Walter, Johannes, Bauer, Walter, Peukert, Wolfgang, Spiecker, Erdmann, Clark, Timothy, Guldi, Dirk M.

Ver este registro en EBSCOhost

An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies. por Bo Fang, Wenshan Ren, Guohua Hou, Guofu Zi, De-Cai Fang, Maron, Laurent, Walter, Marc D.

Ver este registro en EBSCOhost

Imaging the Evolution of d States at a Strontium Titanate Surface. por Ikutaro Hamada, Ryota Shimizu, Takeo Ohsawa, Katsuya Iwaya, Tomihiro Hashizume, Masaru Tsukada, Kazuto Akagi, Taro Hitosugi

Ver este registro en EBSCOhost

Structure, Bonding, and Catalytic Activity of Monodisperse, Transition-Metal-Substituted CeO Nanoparticles. por Elias, Joseph S., Risch, Marcel, Giordano, Livia, Mansour, Azzam N., Yang Shao-Horn

Ver este registro en EBSCOhost

Controlling the Stereochemistry and Regularity of Butanethiol Self-Assembled Monolayers on Au(111). por Jiawei Yan, Runhai Ouyang, Jensen, Palle S., Ascic, Erhad, Tanner, David, Bingwei Mao, Jingdong Zhang, Chunguang Tang, Hush, Noel S., Ulstrup, Jens, Reimers, Jeffrey R.

Ver este registro en EBSCOhost

Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene. por Jingjing Cui, Yongxin Li, Ganguly, Rakesh, Inthirarajah, Anusiya, Hajime Hirao, Rei Kinjo

Ver este registro en EBSCOhost

Disciplines, models, and computers: The path to computational quantum chemistry. por Lenhard, Johannes

Ver este registro en EBSCOhost

Importance of Ligand Exchanges in Pd(ll)-Brønsted Acid Cooperative Catalytic Approach to Spirocyclic Rings. por Jindal, Garima, Sunoj, Raghavan B.

Ver este registro en EBSCOhost

Molecular Spintronics: Destructive Quantum Interference Controlled by a Gate. por Saraiva-Souza, Aldilene, Smeu, Manuel, Lei Zhang, Gomes Souza Filho, Antonio, Hong Guo, Ratner, Mark A.

Ver este registro en EBSCOhost

Narrow Bandgap in β-BaZnAs and Its Chemical Origins. por Zewen Xiao, Hidenori Hiramatsu, Shigenori Ueda, Yoshitake Toda, Fan-Yong Ran, Jiangang Guo, Hechang Lei, Satoru Matsuishi, Hideo Hosono, Toshio Kamiya

Ver este registro en EBSCOhost

CO Oxidation Catalyzed by Single Gold Atoms Supported on Aluminum Oxide Clusters. por Zi-Yu Li, Zhen Yuan, Xiao-Na Li, Yan-Xia Zhao, Sheng-Gui He

Ver este registro en EBSCOhost

Mechanism and Selectivity of N-Triflylphosphoramide Catalyzed (3 + 2) Cycloaddition between Hydrazones and Alkenes. por Xin Hong, Başpınar Küçük, Hatice, Sudan Maji, Modhu, Yun-Fang Yang, Rueping, Magnus, Houk, K. N.

Ver este registro en EBSCOhost

Diterpenoids and diarylheptanoids from the fruits of Alpinia zerumbet and their anti-inflammatory activity. por Zhang, Zhenghan, Li, Guangqian, Luo, Xin, Xiao, Fang, Zhang, Yan, Tang, Chunping, Hu, Bintao, Xie, Zuoquan, Yao, Sheng, Ye, Yang

Ver este registro en EBSCOhost

Diarylheptanoid-flavanone adducts from Alpinia officinarum and their neuroprotective activities. por Ren, Teng, Miao, Qiuping, Pan, Yan, Zhang, Shiqing, Shi, Lei, Wang, Ying, Ye, Wen-Cai, Wu, Zhen-Long, Huang, Xiao-Jun, Song, Jian-Guo

Ver este registro en EBSCOhost

Quantification of Urbanization Using Night-Time Light Intensity in Relation to Women's Overnutrition in Bangladesh. por Khan, Jahidur Rahman, Islam, Md Mazharul, Faisal, Abu Saleh Mosa, Islam, Humayera, Bakar, K Shuvo

Ver este registro en EBSCOhost

The Chemical Bond is a Real Pattern. por Seifert, Vanessa A.

Ver este registro en EBSCOhost

Traveling with TARDIS. Parameterization and transferability in molecular modeling and simulation. por Lenhard, Johannes, Hasse, Hans

Ver este registro en EBSCOhost

The Role of Functional Urban Areas in the Spread of COVID-19 Omicron (Northern Spain). por De Cos, Olga, Castillo, Valentín, Cantarero, David

Ver este registro en EBSCOhost