Related references
Note: Only part of the references are listed.The importance of nuclear quantum effects in spectral line broadening of optical spectra and electrostatic properties in aromatic chromophores
Y. K. Law et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Understanding the quantum mechanical properties of hydrogen bonds in solvated biomolecules from cluster calculations
KwangHyok Jong et al.
JOURNAL OF MOLECULAR LIQUIDS (2018)
Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine
Subrahmanyam Sappati et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice
Sandeep K. Reddy et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Connectivity matters - ultrafast isomerization dynamics of bisazobenzene photoswitches
Chavdar Slavov et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Role of Quantum Vibrations on the Structural, Electronic, and Optical Properties of 9-Methylguanine
Yu Kay Law et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
Femtosecond spectroscopy reveals huge differences in the photoisomerisation dynamics between azobenzenes linked to polymers and azobenzenes in solution
Julia Bahrenburg et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
In Situ Generation of Diimide from Hydrazine and Oxygen: Continuous-Flow Transfer Hydrogenation of Olefins
Bartholomaeus Pieber et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
An insight into solvent-free diimide porphyrin reduction: a versatile approach for meso-aryl hydroporphyrin synthesis
Mariette M. Pereira et al.
GREEN CHEMISTRY (2012)
Cyclic and ladder hydrogen bonded cyanamide oligomers: a density functional theory and many-body analysis approach
Bhagwat Kharat et al.
STRUCTURAL CHEMISTRY (2012)
Potential energy curves via double ionization potential calculations: example of 1,2-diazene molecule
Monika Musial et al.
STRUCTURAL CHEMISTRY (2012)
Organocatalytic diimide reduction of enamides in water
Barrie J. Marsh et al.
CHEMICAL COMMUNICATIONS (2011)
Second-Order State-Specific Multireference Moller Plesset Perturbation Theory: Application to Energy Surfaces of Diimide, Ethylene, Butadiene, and Cyclobutadiene
Uttam Sinha Mahapatra et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Superior Z -> E and E -> Z photoswitching dynamics of dihydrodibenzodiazocine, a bridged azobenzene, by S-1(n pi*) excitation at lambda=387 and 490 nm
Ron Siewertsen et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Many-body energy decomposition of hydrogen-bonded glycine clusters in gas-phase
Puspitapallab Chaudhuri et al.
CHEMICAL PHYSICS LETTERS (2010)
Accurate ab initio based DMBE potential energy surface for the ground electronic state of N2H2
L. A. Poveda et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Computational Methods in Organic Thermochemistry. 4. Enthalpies and Gibbs Energies of Formation of the cis- and trans-Diazenes
Douglas Bond
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Ground state and vertical excitation energies of the diazene isomers with the coupled cluster method
Katarzyna Szopa et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2008)
Application of improved virtual orbital based multireference methods to N2, LiF, and C4H6 systems
Sudip Chattopadhyay et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Structural transition of molecular assembly under photo-irradiation: an STM study
Dong Wang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Diazene (HN=NH) is a substrate for nitrogenase:: Insights into the pathway of N2 reduction
Brett M. Barney et al.
BIOCHEMISTRY (2007)
Improved method for the diimide reduction of multiple bonds on solid-supported substrates
Keith R. Buszek et al.
JOURNAL OF ORGANIC CHEMISTRY (2007)
Accurate MRCI study of ground-state N2H2 potential energy surface
M. Biczysko et al.
CHEMICAL PHYSICS LETTERS (2006)
Substituent effects on the trans/cis isomerization and stability of diazenes
XM Pu et al.
CHEMICAL PHYSICS LETTERS (2005)
A computational study of microsolvation effect on ethylene glycol by density functional method
A Chaudhari et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Many-body interaction in glycine-(water)(3) complex using density functional theory method
A Chaudhari et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Cis-trans isomerization of organic molecules and biomolecules: Implications and applications
C Dugave et al.
CHEMICAL REVIEWS (2003)
Quantifying multiple-body interaction terms in H-bonded HCN chains with many-body perturbation/coupled-cluster theories
R Rivelino et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Reaction mechanism of N2/H2 conversion to NH3:: A theoretical study
DY Hwang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)