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Rumpa Pal

Bristol-Myers Squibb

H指数:13

被引数:959

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The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-03-229

OA

The Relevance of Experimental Charge Density Analysis in Unraveling Noncovalent Interactions in Molecular Crystals

实验电荷密度分析与解开分子晶体中非共价相互作用的相关性

IF4.6

2022-06-0820

OAAI

BN-Substitution in Dithienylpyrenes Prevents Excimer Formation in Solution and in the Solid State

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2022-02-247

OAAI

syn and anti polymorphs of 2,6-dimethoxy benzoic acid and its molecular and ionic cocrystals: Structural analysis and energetic perspective

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2020-12-016

PREAI

Revisiting a Historical Concept by Using Quantum Crystallography: Are Phosphate, Sulfate and Perchlorate Anions Hypervalent?

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2019-03-1425

PREAI

Covalency and Ionicity Do Not Oppose Each Other-Relationship Between Si-O Bond Character and Basicity of Siloxanes

共价键性和离子性不对立-硅氧烷的si-o键特性与碱度之间的关系

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2018-09-2143

OAAI

Linear MgCp2* vs Bent CaCp2*: London Dispersion, Ligand-Induced Charge Localizations, and Pseudo-Pregostic C-H•••Ca Interactions

INORGANIC CHEMISTRY

IF4.7

2018-04-1920

PREAI

SF5-Enolates in Ti(IV)-Mediated Aldol Reactions

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2016-07-1818

PREAI

Low temperature FTIR, Raman, NMR spectroscopic and theoretical study of hydroxyethylammonium picrate

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2016-01-016

PREAI

Observation of a reversible isomorphous phase transition and an interplay of σ-holes'' and π-holes'' in Fmoc-Leu-ψ[CH2-NCS]

CHEMICAL COMMUNICATIONS

IF4.2

2015-01-0127

OAAI

Characterization of Interactions Involving Bromine in 2,2-Dibromo2,3-dihydroinden-1-one via Experimental Charge Density Analysis

CRYSTAL GROWTH & DESIGN

IF3.4

2014-10-2122

PREAI

Conformation-Changing Aggregation in Hydroxyacetone: A Combined Low-Temperature FTIR, Jet, and Crystallographic Study

羟基丙酮中构象变化的聚集: 结合低温FTIR，Jet和晶体学研究

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2011-11-2326

PRE

Charge Density Analysis of Crystals of Nicotinamide with Salicylic Acid and Oxalic Acid: An Insight into the Salt to Cocrystal Continuum

CRYSTAL GROWTH & DESIGN

IF3.4

2010-06-0180

PREAI