导出
  • 排序
  • 显示
1. BAR-based optimum adaptive sampling regime for variance minimization in alchemical transformation: the nonequilibrium stratification SCIE SCOPUS

作者:Wang, XH;Tu, XZ;Zhang, JZH;Sun, ZX

通讯作者地址:Zhang, JZH; Sun, ZX (reprint author), East China Normal Univ, Sch Chem & Mol Engn, State Key Lab Precis Spect, Shanghai 200062, Peoples R China.; Sun, ZX (reprint author), Forschungszentrum Julich, Computat Biomed IAS 5, INM 9, D-52425 Julich, Germany.; Zhang, JZH (reprint author), NYU Shanghai, NYU ECNU Ctr Computat Chem, Shanghai 200062, Peoples R China.; Zhang, JZH (reprint author), NYU, Dept Chem, New York, NY 10003 USA.; Zhang, JZH (reprint author), Shanxi Univ, Collaborat Innovat Ctr Extreme Opt, Taiyuan 030006, Shanxi, Peoples R China.

作者机构:[Wang, Xiaohui; Zhang, John Z. H.; Sun, Zhaoxi] East China Normal Univ, Sch Chem & Mol Engn, State Key Lab Precis Spect, Shanghai 200062, Peoples R Ch 更多

来源:PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2018,20,3,2009-2021

收录类别:SCIE;SCOPUS

当年影响因子:4.123

资源类型:外文期刊论文

4. Two-bead polarizable water models combined with a two-bead multipole force field (TMFF) for coarse-grained simulation of proteins SCOPUS SCIE PubMed

作者:Li, M; Zhang, JZH

通讯作者地址:Zhang, JZH (reprint author), China Normal Univ, Sch Chem & Mol Engn, Shanghai 200062, Peoples R China.; Zhang, JZH (reprint author), China Normal Univ, Sch Phys & Mat Sci, Shanghai 200062, Peoples R China.; Zhang, JZH (reprint author), NYU Shanghai, NYU ECNU Ctr Computat Chem, Shanghai 200062, Peoples R China.; Zhang, JZH (reprint author), New York Univ, Dept Chem, New York, NY USA.

作者机构:[Li, Min; Zhang, John Z. H.] China Normal Univ, Sch Chem & Mol Engn, Shanghai 200062, Peoples R China.; [Li, Min; Zhang, John Z. H.] China Normal Un 更多

来源:PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19,10,7410-7419

收录类别:SCOPUS;SCIE;PubMed

当年影响因子:4.123

WOS被引:1

Scopus被引:1

资源类型:外文期刊论文

7. Structure of liquid water - a dynamical mixture of tetrahedral and 'ring-and-chain' like structures SCOPUS SCIE PubMed

作者:Liu, JF;He, X;Zhang, JZH

通讯作者地址:He, X; Zhang, JZH (reprint author), East China Normal Univ, Sch Chem & Mol Engn, Shanghai 200062, Peoples R China.; He, X; Zhang, JZH (reprint author), NYU Shanghai, NYU ECNU Ctr Computat Chem, Shanghai 200062, Peoples R China.; Zhang, JZH (reprint author), NYU, Dept Chem, New York, NY 10003 USA.

作者机构:[Liu, Jinfeng; He, Xiao; Zhang, John Z. H.] East China Normal Univ, Sch Chem & Mol Engn, Shanghai 200062, Peoples R China.; [Liu, Jinfeng] China Pha 更多

来源:PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19,19

收录类别:SCOPUS;SCIE;PubMed

当年影响因子:4.123

WOS被引:2

Scopus被引:2

资源类型:外文期刊论文

8. Interfacial memristors in Al-LaNiO3 heterostructures SCOPUS SCIE

作者:Tian, BB;Nukala, P;Ben Hassine, M;Zhao, XL;Wang, XD;Shen, H;Wang, JL;Sun, S;Lin, T;Sun, JL;Ge, J;Huang, R;Duan, CG;Reiss, T;Varela, M;Dkhil, B;Meng, XJ;Chu, JH

通讯作者地址:Shen, H (reprint author), Chinese Acad Sci, Shanghai Inst Tech Phys, Natl Lab Infrared Phys, Shanghai 200083, Peoples R China.; Nukala, P; Dkhil, B (reprint author), Univ Paris Saclay, Lab Struct Proprietes & Modelisat Solides, Cent Supelec, CNRS UMR8580, F-92295 Chatenay Malabry, France.

作者机构:[Tian, Bobo; Zhao, Xiaolin; Wang, Xudong; Shen, Hong; Wang, Jianlu; Sun, Shuo; Lin, Tie; Sun, Jinglan; Ge, Jun; Huang, Rong; Meng, Xiangjian; Chu, Jun 更多

来源:PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19,26,16960-16968

收录类别:SCOPUS;SCIE

当年影响因子:4.123

WOS被引:1

Scopus被引:1

资源类型:外文期刊论文

10. Accurate prediction of energetic properties of ionic liquid clusters using a fragment-based quantum mechanical method SCOPUS SCIE

作者:Liu, JF;He, X

通讯作者地址:He, X (reprint author), East China Normal Univ, Sch Chem & Mol Engn, Shanghai 200062, Peoples R China.; He, X (reprint author), NYU Shanghai, NYU ECNU Ctr Computat Chem, Shanghai 200062, Peoples R China.

作者机构:[Liu, Jinfeng] China Pharmaceut Univ, Dept Basic Med & Clin Pharm, Nanjing 210009, Jiangsu, Peoples R China.; [He, Xiao] East China Normal Univ, Sch 更多

来源:PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19,31,20657-20666

收录类别:SCOPUS;SCIE

当年影响因子:4.123

WOS被引:1

Scopus被引:1

资源类型:外文期刊论文

11. Dissection of H-bonding interactions in a glycolic acid-water dimer SCOPUS SCIE

作者:Gu, QL;Shen, D;Tang, Z;Wu, W;Su, PF;Xia, Y;Yang, ZJ;Trindle, CO

通讯作者地址:Gu, QL (reprint author), Xinxiang Med Univ, Sch Basic Med Sci, Xinxiang 453003, Henan, Peoples R China.; Gu, QL (reprint author), Univ Oklahoma, Chem Dept, Norman, OK 73019 USA.; Su, PF (reprint author), Xiamen Univ, State Key Lab Phys Chem Solid Surfaces, Fujian Prov Key Lab Theoret & Computat Chem, Xiamen 361005, Fujian, Peoples R China.; Su, PF (reprint author), Xiamen Univ, Coll Chem & Chem Engn, Xiamen 361005, Fujian, Peoples R China.; Xia, Y (reprint author), East China Normal Univ, Dept Phys, State Key Lab Precis Spect, Shanghai 200062, Peoples R China.

作者机构:[Gu, Quanli; Yang, Zhijun] Xinxiang Med Univ, Sch Basic Med Sci, Xinxiang 453003, Henan, Peoples R China.; [Gu, Quanli] Univ Oklahoma, Chem Dept, No 更多

来源:PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19,22,14238-14247

收录类别:SCOPUS;SCIE

当年影响因子:4.123

WOS被引:1

Scopus被引:1

资源类型:外文期刊论文

12. BAR-based optimum adaptive sampling regime for variance minimization in alchemical transformation SCOPUS SCIE

作者:Sun, ZX; Wang, XH; Zhang, JZH

通讯作者地址:Sun, ZX (reprint author), East China Normal Univ, Inst Theoret & Computat Sci, State Key Lab Precis Spect, Shanghai 200062, Peoples R China.; Zhang, JZH (reprint author), NYU Shanghai, NYU ECNU Ctr Computat Chem, Shanghai 200062, Peoples R China.; Zhang, JZH (reprint author), East China Normal Univ, Sch Chem & Mol Engn, Shanghai 200062, Peoples R China.; Zhang, JZH (reprint author), NYU, Dept Chem, New York, NY 10003 USA.

作者机构:[Sun, Zhao X.; Wang, Xiao H.] East China Normal Univ, Inst Theoret & Computat Sci, State Key Lab Precis Spect, Shanghai 200062, Peoples R China.; [Z 更多

来源:PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19,23,15005-15020

收录类别:SCOPUS;SCIE

当年影响因子:4.123

WOS被引:2

Scopus被引:2

资源类型:外文期刊论文

13. Direct folding simulation of helical proteins using an effective polarizable bond force field SCOPUS SCIE

作者:Duan, LL;Zhu, T;Ji, CG;Zhang, QG;Zhang, JZH

通讯作者地址:Zhang, JZH (reprint author), East China Normal Univ, Sch Chem & Mol Engn, Shanghai 200062, Peoples R China.; Zhang, JZH (reprint author), NYU Shanghai, NYU ECNU Ctr Computat Chem, Shanghai 20062, Peoples R China.; Zhang, JZH (reprint author), NYU, Dept Chem, New York, NY 10003 USA.

作者机构:[Duan, Lili] Shandong Normal Univ, Sch Phys & Elect, Jinan 250014, Peoples R China.; [Duan, Lili; Zhu, Tong; Ji, Changge; Zhang, John Z. H.] East Ch 更多

来源:PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19,23,15273-15284

收录类别:SCOPUS;SCIE

当年影响因子:4.123

Scopus被引:1

资源类型:外文期刊论文

14. Quantitative probing of subtle interactions among H-bonds in alpha hydroxy carboxylic acid complexes SCIE SCOPUS

作者:Gu, QL;Su, PF;Xia, Y;Yang, ZJ;Trindle, CO;Knee, JL

通讯作者地址:Gu, QL; Yang, ZJ (reprint author), Xinxiang Med Univ, Sch Basic Med Sci, Xinxiang 453003, Henan, Peoples R China.; Gu, QL (reprint author), Univ Oklahoma, Chem Dept, Norman, OK 73019 USA.; Su, PF (reprint author), Xiamen Univ, Fujian Prov Key Lab Theoret & Computat Chem, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Fujian, Peoples R China.; Su, PF (reprint author), Xiamen Univ, Coll Chem & Chem Engn, Xiamen 361005, Fujian, Peoples R China.; Xia, Y (reprint author), East China Normal Univ, Sch Phys & Mat Sci, State Key Lab Precis Spect, Shanghai 200062, Peoples R China.; Trindle, CO (reprint author), Univ Virginia, Chem Dept, Charlottesville, VA 22904 USA.; Knee, JL (reprint author), Wesleyan Univ, Dept Chem, Middletown, CT 06457 USA.

作者机构:[Gu, Quanli; Yang, Zhijun] Xinxiang Med Univ, Sch Basic Med Sci, Xinxiang 453003, Henan, Peoples R China.; [Gu, Quanli] Univ Oklahoma, Chem Dept, No 更多

来源:PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19,36,24399-24411

收录类别:SCIE;SCOPUS

当年影响因子:4.123

资源类型:外文期刊论文

15. Analysis of local molecular motions of aromatic sidechains in proteins by 2D and 3D fast MAS NMR spectroscopy and quantum mechanical calculations (vol 17, pg 28789, 2015) SCIE

作者:Paluch, P; Pawlak, T; Jeziorna, A; Trebosc, J; Hou, GJ; Vega, AJ; Amoureux, JP; Dracinsky, M; Polenova, T; Potrzebowski, MJ

通讯作者地址:Potrzebowski, MJ (reprint author), Polish Acad Sci, Ctr Mol & Macromol Studies, Sienkiewicza 112, PL-90363 Lodz, Poland.; Polenova, T (reprint author), Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA.; Dracinsky, M (reprint author), AS CR, Inst Organ Chem & Biochem, Flemingovo Nam 2, Prague, Czech Republic.

作者机构:[Paluch, Piotr; Pawlak, Tomasz; Jeziorna, Agata; Potrzebowski, Marek J.] Polish Acad Sci, Ctr Mol & Macromol Studies, Sienkiewicza 112, PL-90363 Lodz, 更多

来源:PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19,31,21210-21210

收录类别:SCIE

当年影响因子:4.123

资源类型:外文期刊论文

16. Fragment quantum chemical approach to geometry optimization and vibrational spectrum calculation of proteins SCOPUS SCIE PubMed

作者:Liu, JF;Zhang, JZH;He, X

通讯作者地址:He, X (reprint author), E China Normal Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Sci, State Key Lab Precis Spect, Shanghai 200062, Peoples R China.; He, X (reprint author), NYU Shanghai, NYU ECNU Ctr Computat Chem, Shanghai 200062, Peoples R China.

作者机构:[Liu, Jinfeng; Zhang, John Z. H.; He, Xiao] E China Normal Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Sci, State Key Lab Precis Spect, Shangh 更多

来源:PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18,3

收录类别:SCOPUS;SCIE;PubMed

当年影响因子:4.123

WOS被引:12

Scopus被引:14

资源类型:外文期刊论文

17. Slowing and cooling of heavy or light (even with a tiny electric dipole moment) polar molecules using a novel, versatile electrostatic Stark decelerator. SCOPUS SCIE PubMed

作者:Wang, Q;Hou, SY;Xu, L;Yin, JP

通讯作者地址:Yin, JP (reprint author), E China Normal Univ, Dept Phys, State Key Lab Precis Spect, Shanghai 200062, Peoples R China.

作者机构:[Wang, Qin; Hou, Shunyong; Xu, Liang; Yin, Jianping] E China Normal Univ, Dept Phys, State Key Lab Precis Spect, Shanghai 200062, Peoples R China.

来源:PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18,7

收录类别:SCOPUS;SCIE;PubMed

当年影响因子:4.123

WOS被引:1

Scopus被引:2

资源类型:外文期刊论文

19. High photocatalytic performance of a type-II alpha-MoO3@MoS2 heterojunction: from theory to experiment SCOPUS SCIE PubMed

作者:Li, HL;Yu, K;Tang, Z;Fu, H;Zhu, ZQ

通讯作者地址:Yu, K (reprint author), E China Normal Univ, Dept Elect Engn, Minist Educ China, Key Lab Polar Mat & Devices, Shanghai 200241, Peoples R China.; Yu, K (reprint author), Shanxi Univ, Collaborat Innovat Ctr Extreme Opt, Taiyuan 030006, Shanxi, Peoples R China.

作者机构:[Li, Honglin; Yu, Ke; Tang, Zheng; Fu, Hao; Zhu, Ziqiang] E China Normal Univ, Dept Elect Engn, Minist Educ China, Key Lab Polar Mat & Devices, Shangh 更多

来源:PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18,20

收录类别:SCOPUS;SCIE;PubMed

当年影响因子:4.123

WOS被引:4

Scopus被引:6

资源类型:外文期刊论文

共 4 页, 76 条记录

TOP