E-LIB Suche - Ergebnisse für: Schlegel, H. Bernhard

1

Rare Events Sampling Methods for Quantum and Classical Ab I..:

Iyengar, Srinivasan S. ; Schlegel, H. Bernhard ; Sumner, Isaiah.
The Journal of Physical Chemistry A. 128 (2024) 27 - p. 5386-5397 , 2024

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

2

Mechanism of the Sharpless Epoxidation Reaction: A DFT Stud:

Bach, Robert D. ; Schlegel, H. Bernhard
The Journal of Physical Chemistry A. 128 (2024) 11 - p. 2072-2091 , 2024

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

3

Structures, energies and vibrational frequencies of the X a..:

Durden, Andrew S. ; Caricato, Marco ; Schlegel, H. Bernhard
International Journal of Mass Spectrometry. , 2024

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

4

Calculated pKa Values for a Series of Aza- and Deaza-Modifi..:

Mlotkowski, Alan J. ; Schlegel, H. Bernhard ; Chow, Christine S.
The Journal of Physical Chemistry A. 127 (2023) 15 - p. 3526-3534 , 2023

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

5

Scope and Mechanistic Probe into Asymmetric Synthesis of α-..:

Arachchi, Madhawee K. ; Schaugaard, Richard N. ; Schlegel, H. Bernhard.
Journal of the American Chemical Society. 145 (2023) 36 - p. 19642-19654 , 2023

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

6

Charge Migration in HCCI Cations Probed by Strong Field Ion..:

Schlegel, H. Bernhard
The Journal of Physical Chemistry A. 127 (2023) 29 - p. 6040-6050 , 2023

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

7

A bioinspired cobalt catalyst based on a tripodal imidazole..:

Kulesa, Krista M. ; Padilha, Diego S. ; Thapa, Bishnu...
Journal of Inorganic Biochemistry. 242 (2023) - p. 112162 , 2023

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

8

Carrier-Envelope Phase Controlling of Ion Momentum Distribu..:

Stewart, Gabriel ; Debrah, Duke ; Hoerner, Paul...
The Journal of Physical Chemistry A. 127 (2023) 4 - p. 870-875 , 2023

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

9

Stereoselective glycosylation reactions with 2-deoxyglucose..:

Haisha, Spencer ; Nguyen, Hien M. ; Bernhard Schlegel, H.
Computational and Theoretical Chemistry. 1224 (2023) - p. 114122 , 2023

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

10

Correction to "The Bond Dissociation Energy of the N–O Bond:

Bach, Robert D. ; Schlegel, H. Bernhard
The Journal of Physical Chemistry A. 126 (2022) 32 - p. 5525-5525 , 2022

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

11

Properties of Amine-Containing Ligands That Are Necessary f..:

Barraza Jr., Ramiro ; Sertage, Alexander G. ; Kajjam, Aravind B....
Inorganic Chemistry. 61 (2022) 49 - p. 19649-19657 , 2022

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

12

Picosecond vs Femtosecond: Are All Laser Desorption Ionizat..:

Stewart, Gabriel A. ; Debrah, Duke ; Ranathunga, Yasashri...
The Journal of Physical Chemistry C. 126 (2022) 40 - p. 17135-17140 , 2022

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

13

Stereoselective 1,2-cis Furanosylations Catalyzed by Phenan..:

Xu, Hengfu ; Schaugaard, Richard N. ; Li, Jiayi..
Journal of the American Chemical Society. 144 (2022) 16 - p. 7441-7456 , 2022

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

14

Ionization of HCCI Neutral and Cations by Strong Laser Fiel..:

Schlegel, H. Bernhard ; Hoerner, Paul ; Li, Wen
Frontiers in Chemistry. 10 (2022) - p. , 2022

Link: https://doi.org/10.3389/..

15

Distinct Bimetallic Cooperativity Among Water Reduction Cat..:

Morgan, Fredricka ; Schaugaard, Richard ; Anderson, Dennis..
Chemistry – A European Journal. 28 (2022) 23 - p. , 2022

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