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	1.	An elongation method for large systems toward bio-systems. [electronic resource] by Aoki, Yuriko Gu, Feng Long Producer: 20120829 In: Physical chemistry chemical physics : PCCP vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	A DFT study on the mechanism of photoselective catalytic reduction of 4-bromobenzaldehyde in different solvents employing an OH-defected TiO [electronic resource] by Gan, Hanlin Peng, Liang Gu, Feng Long Producer: 20180205 In: Physical chemistry chemical physics : PCCP vol. 19 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Effective preconditioning for ab initio ground state energy minimization with non-orthogonal localized molecular orbitals. [electronic resource] by Peng, Liang Gu, Feng Long Yang, Weitao Producer: 20140310 In: Physical chemistry chemical physics : PCCP vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Ultrafast intersystem crossing for nitrophenols: ab initio nonadiabatic molecular dynamics simulation. [electronic resource] by Xu, Chao Gu, Feng Long Zhu, Chaoyuan Producer: 20180221 In: Physical chemistry chemical physics : PCCP vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	An excited-state Wolff rearrangement reaction of 5-diazo Meldrum's acid: an ab initio on-the-fly nonadiabatic dynamics simulation. [electronic resource] by Xu, Chao Gu, Feng Long Zhu, Chaoyuan Producer: 20180919 In: Physical chemistry chemical physics : PCCP vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Efficient adsorption and photocatalytic degradation of Rhodamine B under visible light irradiation over BiOBr/montmorillonite composites. [electronic resource] by Xu, Chengqun Wu, Honghai Gu, Feng Long Producer: 20150116 In: Journal of hazardous materials vol. 275 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Describing electron correlation effects in the framework of the elongation method--elongation-MP2: formalism, implementation and efficiency. [electronic resource] by Makowski, Marcin Korchowiec, Jacek Gu, Feng Long Aoki, Yuriko Producer: 20100719 In: Journal of computational chemistry vol. 31 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Theoretical study on catalyzed selective photoreduction mechanism for 4-bromobenzaldehyde in two different solvents. [electronic resource] by Huang, Xiao Peng, Liang Gu, Feng Long Zhang, Ruiqin Producer: 20150928 In: Physical chemistry chemical physics : PCCP vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Probing the π → π* photoisomerization mechanism of trans-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulations. [electronic resource] by Xu, Chao Yu, Le Gu, Feng Long Zhu, Chaoyuan Producer: 20180927 In: Physical chemistry chemical physics : PCCP vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Functional and Basis Set Dependence for Time-Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis-Azobenzene Photoisomerization. [electronic resource] by Ye, Linfeng Xu, Chao Gu, Feng Long Zhu, Chaoyuan Producer: 20200930 In: Journal of computational chemistry vol. 41 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Efficient and accurate calculations on the electronic structure of B-type poly(dG).poly(dC) DNA by elongation method: first step toward the understanding of the biological properties of aperiodic DNA. [electronic resource] by Orimoto, Yuuichi Gu, Feng Long Imamura, Akira Aoki, Yuriko Producer: 20070814 In: The Journal of chemical physics vol. 126 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Band structure built from oligomer calculations. [electronic resource] by Pomogaeva, Anna Kirtman, Bernard Gu, Feng Long Aoki, Yoriko Producer: 20080506 In: The Journal of chemical physics vol. 128 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Insight into the Expanded Mislinked Porphyrins with High Second Order Nonlinear Optical Response. [electronic resource] by Li, Bo Sathishkumar, Palanivel Gu, Feng Long Zhu, Chaoyuan Publication details: The journal of physical chemistry. A Feb 2020 In: The journal of physical chemistry. A vol. 124 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems. [electronic resource] by Makowski, Marcin Korchowiec, Jacek Gu, Feng Long Aoki, Yuriko Producer: 20070625 In: Journal of computational chemistry vol. 27 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Theoretical study on the mechanism of stereoselective synthesis of oxazolidinones. [electronic resource] by Duan, Abing Peng, Liang Peng, Daoling Gu, Feng Long Producer: 20140708 In: The Journal of organic chemistry vol. 78 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Nonlinear optical properties of polydiacetylene with donor-acceptor substitution block. [electronic resource] by Ohnishi, Shin-Ichi Orimoto, Yuuichi Gu, Feng Long Aoki, Yuriko Producer: 20071030 In: The Journal of chemical physics vol. 127 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Theoretical study on nonlinear optical properties of the Li(+)[calix[4]pyrrole]Li(-)dimer, trimer and its polymer with diffuse excess electrons. [electronic resource] by Yu, Guang Tao Chen, Wei Gu, Feng Long Aoki, Yuriko Producer: 20100416 In: Journal of computational chemistry vol. 31 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	A new localization scheme for the elongation method. [electronic resource] by Gu, Feng Long Aoki, Yuriko Korchowiec, Jacek Imamura, Akira Kirtman, Bernard Producer: 20061213 In: The Journal of chemical physics vol. 121 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Band structures built by the elongation method. [electronic resource] by Pomogaeva, Anna Springborg, Michael Kirtman, Bernard Gu, Feng Long Aoki, Yuriko Producer: 20090728 In: The Journal of chemical physics vol. 130 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Time-Dependent Coupled Perturbed Hartree-Fock and Density-Functional-Theory Approach for Calculating Frequency-Dependent (Hyper)Polarizabilities with Nonorthogonal Localized Molecular Orbitals. [electronic resource] by Peng, Daoling Li, Shaopeng Peng, Liang Gu, Feng Long Yang, Weitao Producer: 20180404 In: Journal of chemical theory and computation vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 52 results.