Anan Wu

发表

XO: An extended ONIOM method for accurate and efficient geometry optimization of large molecules

Anan Wu, Xin Xu, Wenping Guo, 2010 .

Extension of the Karplus relationship for NMR spin-spin coupling constants to nonplanar ring systems: Pseudorotation of cyclopentane

J. Gauss, D. Cremer, Anan Wu, 2002 .

Internal dynamics in the molecular complex of CF3CN and H2O.

S. Novick, D. Obenchain, Anan Wu, 2015, Physical chemistry chemical physics : PCCP.

OPBE: A promising density functional for the calculation of nuclear shielding constants

Ying Zhang, Xin Xu, Anan Wu, 2006 .

Accurate prediction of nuclear magnetic resonance shielding constants: An extension of the focal-point analysis method for magnetic parameter calculations (FPA-M) with improved efficiency.

Kangli Wang, Meng Sun, Anan Wu, 2018, The Journal of chemical physics.

Accurate prediction of nuclear magnetic resonance shielding constants: towards the accuracy of CCSD(T) complete basis set limit.

Igor Ying Zhang, Meng Sun, Anan Wu, 2013, The Journal of chemical physics.

X-ray and DFT Study of Glaucocalyxin A Compound with Cytotoxic Activity

Anan Wu, Fu-dong Wang, L. Ding, 2009 .

New approach for determining the conformational features of pseudorotating ring molecules utilizing calculated and measured NMR spin-spin coupling constants

D. Cremer, Anan Wu, 2003 .

Analysis of the transmission mechanism of NMR spin-spin coupling constants using Fermi contact spin density distribution, partial spin polarization, and Orbital currents: XHn molecules

D. Cremer, Anan Wu, J. Gräfenstein, 2003 .

Lithium imide synergy with 3d transition-metal nitrides leading to unprecedented catalytic activities for ammonia decomposition.

F. Chang, Zheng Chen, Junhu Wang, 2015, Angewandte Chemie.

Investigation of the NMR spin-spin coupling constants across the hydrogen bonds in ubiquitin: the nature of the hydrogen bond as reflected by the coupling mechanism.

D. Cremer, E. Kraka, T. Tuttle, 2004, Journal of the American Chemical Society.

Chiral and achiral vanadyl lactates with vibrational circular dichroism: Toward the chiral metal cluster in nitrogenase

Anan Wu, Zhao-Hui Zhou, Hongxin Wang, 2016 .

Accessing 2‐Arylbenzofurans by CuI2(pip)2‐Catalyzed Tandem Coupling/Cyclization Reaction: Mechanistic Studies and Application to the Synthesis of Stemofuran A and Moracin M

Wei Chen, Anan Wu, Xiao Tang, 2016 .

Correlation of the Vibrational Spectra of Isotopomers: Theory and Application

D. Cremer, Anan Wu, 2003 .

Highly enantioselective Henry reactions of aromatic aldehydes catalyzed by an amino alcohol-copper(II) complex.

Zheng Chen, Anan Wu, Zhao-Hui Zhou, 2012, Chemistry.

Sodium anilinide-cyclohexylamide pair: synthesis, characterization, and hydrogen storage properties.

Teng He, Anan Wu, Ping Chen, 2020, Chemical communications.

Atomically Dispersed Pt on the Surface of Ni Particles: Synthesis and Catalytic Function in Hydrogen Generation from Aqueous Ammonia–Borane

Teng He, Z. Li, Anan Wu, 2017 .

Electronic promoter or reacting species? The role of LiNH2 on Ru in catalyzing NH3 decomposition.

F. Chang, Zheng Chen, Ping Chen, 2015, Chemical communications.

EPR and DFT Study of the Polycyclic Aromatic Radical Cations from Friedel-Crafts Alkylation Reactions

Anan Wu, Li-guo Gao, Taotao Wang, 2009 .

Fluorescence of a triple-stranded helicate iron(III) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies

Anan Wu, Zhe-ning Chen, Shigang Wan, 2016 .

Metal‐catalyzed alkyne oxidation/CH functionalization: Effects of oxidant, temperature, and metal catalyst on chemoselectivity

Xin Lu, Kai Tan, Yong-Heng Wang, 2018, J. Comput. Chem..

Chemoselectivity in Gold(I)-Catalyzed Propargyl Ester Reactions: Insights From DFT Calculations

Anan Wu, Xin Lu, Qing Sun, 2019, Front. Chem..

Single-handed supramolecular double helix of homochiral bis(N-amidothiourea) supported by double crossed C−I···S halogen bonds

Y. Mo, Anan Wu, Z. Li, 2019, Nature Communications.

Can one assess the pi character of a C-C bond with the help of the NMR spin-spin coupling constants?

D. Cremer, E. Kraka, Anan Wu, 2004, Chemphyschem : a European journal of chemical physics and physical chemistry.

(N,N-Dimethylaminoxy)trifluorosilane: Strong, Dipole Moment Driven Changes in the Molecular Geometry Studied by Experiment and Theory in Solid, Gas, and Solution Phases

Anan Wu, David W. H. Rankin, Anan Wu, 2000 .

xOPBE: A Specialized Functional for Accurate Prediction of 13C Chemical Shifts.

Anan Wu, Xin Xu, Jinkun Zhang, 2020, The journal of physical chemistry. A.

Extension of the Karplus Relationship for NMR Spin-Spin Coupling Constants to Nonplanar Ring Systems : Pseudorotation of Tetrahydrofuran

D. Cremer, Anan Wu, 2003 .

Extension of the Karplus Relationship for NMR Spin-Spin Coupling Constants to Nonplanar Ring Systems: Pseudorotation of Cyclopentane

D. Cremer, Anan Wu, 2003 .

Perturbative treatment of anharmonic vibrational effects on bond distances: An extended langevin dynamics method

Xin Xu, Anan Wu, Neil Qiang Su, 2014, J. Comput. Chem..

The mechanism of the reaction FH + H2CCH2→ H3C–CFH2. Investigation of hidden intermediates with the unified reaction valley approach

D. Cremer, E. Kraka, Anan Wu, 2001 .

XO: An extended ONIOM method for accurate and efficient modeling of large systems

Wenping Guo, Igor Ying Zhang, Xin Xu, 2012, J. Comput. Chem..

Theoretical Studies on Dehydrogenation Reactions in Mg2（BH4）2（NH2）2 Compounds

Xin Xu, Anan Wu, Zhe-ning Chen, 2012 .

Some Thoughts about Bond Energies, Bond Lengths, and Force Constants

Elfi Kraka, Dieter Cremer, Anan Wu, 2000 .

Metathesis of alkali-metal amidoborane and FeCl3 in THF

Zheng Chen, H. Chu, Teng He, 2012 .

Metallo-N-Heterocycles - A new family of hydrogen storage material

Wei Zhou, Teng He, Anan Wu, 2020 .

Barium chromium nitride-hydride for ammonia synthesis

H. Cao, Teng He, Anan Wu, 2021, Chem Catalysis.

Analysis of multipath transmission of spin–spin coupling constants in cyclic compounds with the help of partially spin-polarized orbital contributions

D. Cremer, Anan Wu, 2003 .

Systematic studies on the computation of nuclear magnetic resonance shielding constants and chemical shifts: The density functional models

Ying Zhang, Xin Xu, Anan Wu, 2007, J. Comput. Chem..

Insights into the mechanism of fatty acid photodecarboxylase: A theoretical investigation

Anan Wu, Xin Lu, K. Tan, 2021 .

DCMB that combines divide‐and‐conquer and mixed‐basis set methods for accurate geometry optimizations, total energies, and vibrational frequencies of large molecules

Xin Xu, Anan Wu, Anan Wu, 2012, J. Comput. Chem..

Reversible Hydrogen Uptake/Release over a Sodium Phenoxide-Cyclohexanolate Pair.

Teng He, Anan Wu, Ping Chen, 2019, Angewandte Chemie.

The mechanism of the reaction FH + H 2 C 2 CH 2 Ç H 3 C – CFH 2 . Investigation of hidden intermediates with the uniÐed reaction valley approach ¤ ”

D. Cremer, Anan Wu, ElÐ Kraka, 2001 .

The new chemical insight for understanding the mechanism of Henry reaction over Cu(II) catalyst

Kangli Wang, Anan Wu, Zhe-ning Chen, 2017 .

Efficient algorithm for the spin-free valence bond theory. I. New strategy and primary expressions

Anan Wu, Yirong Mo, Menghai Lin, 1998 .

Growth of crystalline polyaminoborane through catalytic dehydrogenation of ammonia borane on FeB nanoalloy.

H. Chu, Teng He, Junhu Wang, 2010, Chemistry.

The role of the HOOO(-) anion in the ozonation of alcohols: large differences in the gas-phase and in the solution-phase mechanism.

D. Cremer, Anan Wu, B. Plesničar, 2003, Journal of the American Chemical Society.

Assessment of Some Density Functional Theory Methods and Force Field Models in Describing Various Interaction Modes of Benzene Dimer

Igor Ying Zhang, Anan Wu, Xin Xu, 2011 .