Works matching IS 00207608 AND DT 2014 AND VI 114 AND IP 6

Results: 10

Shape and location of multiple charge carriers in linear π-electron systems.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 6, p. 416, doi. 10.1002/qua.24585

By:

Nychyporenko, Oleg S.;
Melnyk, Olga P.;
Viniychuk, Olexandr O.;
Pinchuk ‐ Rugal, Tetiana M.;
Brusentsov, Volodymyr A.;
Pavlenko, Elena L.;
Dmytrenko, Oksana P.;
Kulish, Nikolay P.;
Kachkovsky, Olexiy D.

Publication type:

Article

Probing the Reactivity of Hydroxyl Radicals toward Isolated Thymine Using Theoretical Calculations.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 6, p. 367, doi. 10.1002/qua.24567

By:

Tan, Rongri;
Wang, Dongqi;
Hu, Lin;
Zhang, Feng ‐ Shou

Publication type:

Article

Inside Cover, Volume 114, Issue 6.

Published in:: International Journal of Quantum Chemistry, 2014, v. 114, n. 6, p. iii, doi. 10.1002/qua.24615
Publication type:: Article

UC-Curve: A highly compact 2D graphical representation of protein sequences.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 6, p. 409, doi. 10.1002/qua.24581

By:

Li, Yushuang;
Liu, Qian;
Zheng, Xiaoqi;
He, Ping ‐ an

Publication type:

Article

Cover Image, Volume 114, Issue 6.

Published in:: International Journal of Quantum Chemistry, 2014, v. 114, n. 6, p. i, doi. 10.1002/qua.24614
Publication type:: Article

Ro-vibrational studies of diatomic molecules in a shifted Deng-Fan oscillator potential.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 6, p. 383, doi. 10.1002/qua.24575

By:

Roy, Amlan K.

Publication type:

Article

Theoretical study of the vibrational frequencies of carbon disulfide.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 6, p. 429, doi. 10.1002/qua.24586

By:

Wang, Zerong Daniel;
Hysmith, Meagan;
Yoshida, Motoko;
George, Ben;
Quintana, Perla Cristina

Publication type:

Article

Theoretical investigation on the dissociation of (R)-benzoin catalyzed by benzaldehyde lyase.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 6, p. 375, doi. 10.1002/qua.24573

By:

Zhang, Jing;
Sheng, Xiang;
Hou, QianQian;
Liu, Yongjun

Publication type:

Article

A comparative study of some lithium and hydrogen-bonded complexes: Ab initio and QTAIM studies.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 6, p. 400, doi. 10.1002/qua.24577

By:

Zhang, Xueying;
Li, Xiaoyan;
Zeng, Yanli;
Meng, Lingpeng;
Zheng, Shijun

Publication type:

Article

Computational estimates of thermochemistry and p K<sub>a</sub> values of cyclopropenyl imine superbases.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 6, p. 392, doi. 10.1002/qua.24576

By:

Çiftcioğlu, Gökçen A.;
Trindle, Carl

Publication type:

Article