| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Atomistic level understanding of the stabilization of protein Trp cage in denaturing and mixed osmolyte solutions
|
Borgohain, Gargi
|
|
2018
|
1131 |
C |
p. 78-89
|
article
|
| 2 |
Comparing the substituent effects about ESIPT process for HBO derivatives
|
Yang, Dapeng
|
|
2018
|
1131 |
C |
p. 51-56
|
article
|
| 3 |
Conformational structures and vibrational spectroscopic investigation of isolated dityrosine and tryptophan-tyrosine dipeptides: A theoretical study
|
Mayes, Maricris L.
|
|
2018
|
1131 |
C |
p. 99-109
|
article
|
| 4 |
Density functional reactivity theory characterizing the reactivity of frustrated Lewis pairs
|
Wu, Dongling
|
|
2018
|
1131 |
C |
p. 33-39
|
article
|
| 5 |
DFT study of nanotubes as the drug delivery vehicles of Efavirenz
|
Xu, Hong
|
|
2018
|
1131 |
C |
p. 57-68
|
article
|
| 6 |
Editorial Board
|
|
|
2018
|
1131 |
C |
p. ii
|
article
|
| 7 |
Mechanism and kinetics of the reaction of methyl acetate with Cl atom – A theoretical study
|
Gnanaprakasam, M.
|
|
2018
|
1131 |
C |
p. 40-50
|
article
|
| 8 |
Spectroscopic and DFT approach for structure property relationship of red emitting rhodamine analogues: A study of linear and nonlinear optical properties
|
Jadhav, Amol G.
|
|
2018
|
1131 |
C |
p. 1-12
|
article
|
| 9 |
Stability, structural and electronic properties of ternary Pd x Au y Ag z clusters (x + y + z = 7): A theoretical study
|
Zhao, Shuang
|
|
2018
|
1131 |
C |
p. 69-77
|
article
|
| 10 |
Theoretically predicted divalent silicon(0) compounds: Structures and chemical bonding of silylone in molybdenum pentacarbonyl complexes [Mo(CO)5-Si(XCp∗)2] (X = B–Tl)
|
Loan, Huynh Thi Phuong
|
|
2018
|
1131 |
C |
p. 13-24
|
article
|
| 11 |
Theoretical study of N-thiazolyl-2-cyanoacetamide derivatives as corrosion inhibitor for aluminum in alkaline environments
|
Zhang, X.Y.
|
|
2018
|
1131 |
C |
p. 25-32
|
article
|
| 12 |
Transition-metal-free diboration of non-activated olefins: A reaction mechanism revisited
|
Haeffner, Fredrik
|
|
2018
|
1131 |
C |
p. 90-98
|
article
|
Journal description