相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Electronic structure, stability, and cooperativity of chalcogen bonding in sulfur dioxide and hydrated sulfur dioxide clusters: a DFT study and wave functional analysis
Natarajan Sathiyamoorthy Venkataramanan
STRUCTURAL CHEMISTRY (2022)
Intermolecular interactions in microhydrated ribonucleoside and deoxyribonucleoside: A computational study
Venkataramanan Natarajan Sathiyamoorthy et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2021)
The Neglected Nuclei
Peter Politzer et al.
MOLECULES (2021)
Photocatalytic Oxidation of SO2 by TiO2: Aerosol Formation and the Key Role of Gaseous Reactive Oxygen Species
Yi Chen et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2021)
A computational study on the complexation of bisbenzimidazolyl derivatives with cucurbituril and cyclohexylcucurbituril
N. S. Venkataramanan et al.
JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY (2021)
Determination of the amine-catalyzed SO3 hydrolysis mechanism in the gas phase and at the air-water interface
Xiaohui Ma et al.
CHEMOSPHERE (2020)
Heterogeneous Reactions of SO3 on Ice: An Overlooked Sink for SO3 Depletion
Jie Zhong et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Water Promotes the Oxidation of SO2 by O2 over Carbonaceous Aerosols
Guangzhi He et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2020)
Computational study of inclusion complex of L-Glutamine/beta-Cycldextrin: Electronic and intermolecular interactions investigations
Lafifi Ismahan et al.
JOURNAL OF MOLECULAR STRUCTURE (2020)
The role of air-water interface in the SO3 hydration reaction
Guochun Lv et al.
ATMOSPHERIC ENVIRONMENT (2020)
Unprecedented Ambient Sulfur Trioxide (SO3) Detection: Possible Formation Mechanism and Atmospheric Implications
Lei Yao et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS (2020)
Photoinduced Uptake and Oxidation of SO2 on Beijing Urban PM2.5
Yue Zhang et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2020)
Photoinduced Adsorption and Oxidation of SO2 on Anatase TiO2(101)
David Langhammer et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Ab initio study on the molecular structure and spectroscopic properties of isomers of SO3
Lihan Chi et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2020)
Global and local minima of protonated acetonitrile clusters
Alhadji Malloum et al.
NEW JOURNAL OF CHEMISTRY (2020)
A theoretical study of the addition of CH2OO to hydroxymethyl hydroperoxide and its implications on SO3formation in the atmosphere
Ronald Chow et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
Pure rotational spectrum of cis-OSOO
Masakazu Nakajima et al.
CHEMICAL PHYSICS LETTERS (2019)
Capture of SO3 isomers in the oxidation of sulfur monoxide with molecular oxygen
Zhuang Wu et al.
CHEMICAL COMMUNICATIONS (2018)
Nature of bonding and cooperativity in linear DMSO clusters: A DR AIM and NCI analysis
Natarajan Sathiyamoorthy Venkataramanan et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2018)
Density functional theory study on the dihydrogen bond cooperativity in the growth behavior of dimethyl sulfoxide clusters
Natarajan Sathiyamoorthy Venkataramanan et al.
JOURNAL OF MOLECULAR LIQUIDS (2018)
Static polarizabilities and optical absorption spectra of boron clusters (n=2-20, 38 and 40) using first principles
Balasaheb J. Nagare et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2018)
Cooperative effects between π-hole triel and π-hole chalcogen bonds
Jingru Zhang et al.
RSC ADVANCES (2018)
Chalcogen bonds formed through p- holes: SO. complexes with nitrogen and phosphorus bases
Mehdi D. Esrafili et al.
MOLECULAR PHYSICS (2016)
Cooperativity of intermolecular hydrogen bonds in microsolvated DMSO and DMF clusters: a DFT, AIM, and NCI analysis
Natarajan Sathiyamoorthy Venkataramanan
JOURNAL OF MOLECULAR MODELING (2016)
H-Bonding of Sulfuric Acid with Its Decomposition Products: An Infrared Matrix Isolation and Computational Study of the H2SO4•H2O•SO3 Complex
Mark Rozenberg et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2016)
Global optimization of clusters of rigid molecules using the artificial bee colony algorithm
Jun Zhang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Donor-Acceptor Complexes between Ammonia and Sulfur Trioxide: An FTIR and Computational Study
Karolina Haupa et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
Unveiling the non-covalent interactions of molecular homodimers by dispersion-corrected DFT calculations and collision-induced broadening of ro-vibrational transitions: application to (CH2F2)2 and (SO2)2
Nicola Tasinato et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
ABCluster: the artificial bee colony algorithm for cluster global optimization
Jun Zhang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Ab initio calculations of cooperativity effects on chalcogen bonding: linear clusters of (OCS)2-8 and (OCSe)2-8
Mehdi D. Esrafili et al.
STRUCTURAL CHEMISTRY (2015)
Encapsulation of sulfur, oxygen, and nitrogen mustards by cucurbiturils: a DFT study
Natarajan Sathiyamoorthy Venkataramanan et al.
JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY (2015)
Does the spatial confinement influence the electric properties and cooperative effects of the hydrogen bonded systems? HCN chains as a case study
Agnieszka Roztoczynska et al.
CHEMICAL PHYSICS LETTERS (2014)
Substituent Effects in the Noncovalent Bonding of SO2 to Molecules Containing a Carbonyl Group. The Dominating Role of the Chalcogen Bond
Luis Miguel Azofra et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Complexes containing CO2 and SO2. Mixed dimers, trimers and tetramers
Luis Miguel Azofra et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Strongly bound noncovalent (SO3)n:H2CO complexes (n=1, 2)
Luis Miguel Azofra et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Noncovalent interactions in dimers and trimers of SO3 and CO
Luis Miguel Azofra et al.
THEORETICAL CHEMISTRY ACCOUNTS (2014)
Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies
Felipe A. Bulat et al.
JOURNAL OF MOLECULAR MODELING (2010)
A computational study of the cooperativity in clusters of interhalogen derivatives
Ibon Alkorta et al.
STRUCTURAL CHEMISTRY (2009)
Dihydrogen bond cooperativity in (HCCBeH)n clusters
Ibon Alkorta et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Density functional theory study of (HCN)n clusters up to n=10
Martine Adrian-Scotto et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2007)
On the competing hydrations of sulfur dioxide and sulfur trioxide in our atmosphere
T Loerting et al.
CHEMICAL COMMUNICATIONS (2000)