E-LIB Suche - Ergebnisse für: Yeole, Sachin D.

1

Metal-free azo dyes anchored on CdS nanowires: Subtle solar..:

Jadhav, Maheshkumar ; Mendhe, Avinash ; Deshmukh, Tushar...
Journal of Photochemistry and Photobiology A: Chemistry. 448 (2024) - p. 115303 , 2024

Link: https://doi.org/10.1016/..

2

DAMQT 3: Advanced suite for the analysis of molecular densi..:

Kumar, Anmol ; López, Rafael ; Martínez, Frank...
Computer Physics Communications. 279 (2022) - p. 108460 , 2022

Link: https://doi.org/10.1016/..

3

Quantum chemical study of molecular hydration of phenylxylo..:

Yeole, Sachin D
Journal of Chemical Sciences. 134 (2022) 4 - p. , 2022

Link: https://doi.org/10.1007/..

4

Ab initio quantum chemical study of microhydration of xylop..:

Yeole, Sachin D.
Computational and Theoretical Chemistry. 1206 (2021) - p. 113466 , 2021

Link: https://doi.org/10.1016/..

5

Understanding the interactions between hydrogen-bonded comp..:

Koli, Amol R ; Yeole, Sachin D
Journal of Chemical Sciences. 132 (2020) 1 - p. , 2020

Link: https://doi.org/10.1007/..

6

Molecular hydration of carbohydrates: quantum chemical stud..:

Koli, Amol R. ; Yeole, Sachin D.
Theoretical Chemistry Accounts. 139 (2020) 7 - p. , 2020

Link: https://doi.org/10.1007/..

7

On the cation– $$\uppi $$ π interactions in 1,2-dihydro-1,2..:

Yeole, Sachin D ; Khire, Subodh S ; Sarode, Chandrakant H.
Journal of Chemical Sciences. 130 (2018) 8 - p. , 2018

Link: https://doi.org/10.1007/..

8

Topology of molecular electron density and electrostatic po..:

López, Rafael ; Rico, Jaime Fernández ; Ramírez, Guillermo...
Computer Physics Communications. 214 (2017) - p. 207-215 , 2017

Link: https://doi.org/10.1016/..

9

Analytic ab initio-based molecular interaction potential fo..:

Hoehn, Ross D. ; Yeole, Sachin D. ; Kais, Sabre.
The Journal of Chemical Physics. 144 (2016) 20 - p. , 2016

Link: https://doi.org/10.1063/..

10

DAMQT 2.1.0: A new version of the DAMQT package enabled wit..:

Kumar, Anmol ; Yeole, Sachin D. ; Gadre, Shridhar R....
Journal of Computational Chemistry. 36 (2015) 31 - p. 2350-2359 , 2015

Link: https://doi.org/10.1002/..

11

The first naphthosemiquinone complex of K+ with vitamin K3 ..:

Kathawate, Laxmi ; Gejji, Shridhar P. ; Yeole, Sachin D....
Journal of Molecular Structure. 1088 (2015) - p. 56-63 , 2015

Link: https://doi.org/10.1016/..

12

Quantum Chemical Investigations on Molecular Clusters:

Gadre, Shridhar R. ; Yeole, Sachin D. ; Sahu, Nityananda
Chemical Reviews. 114 (2014) 24 - p. 12132-12173 , 2014

Link: https://doi.org/10.1021/..

13

Mechanistic insights for β-cyclodextrin catalyzed phosphodi..:

Rahimian, Mahboobeh ; Yeole, Sachin D. ; Gejji, Shridhar P.
Journal of Molecular Modeling. 20 (2014) 4 - p. , 2014

Link: https://doi.org/10.1007/..

14

Appraisal of molecular tailoring approach for large cluster:

Sahu, Nityananda ; Yeole, Sachin D. ; Gadre, Shridhar R.
The Journal of Chemical Physics. 138 (2013) 10 - p. , 2013

Link: https://doi.org/10.1063/..

15

High-Level ab Initio Investigations on Structures and Energ..:

Yeole, Sachin D. ; Sahu, Nityananda ; Gadre, Shridhar R.
The Journal of Physical Chemistry A. 117 (2013) 36 - p. 8591-8598 , 2013

Link: https://doi.org/10.1021/..