S. No.

Author(s)

Year

Title

Publisher

1.

R. K. Roy

1999

On Non-Negativity of Fukui Function Indices (TALK)

Japan Chemical Society, Kyoto

2.

R. K. Roy

1999

Should Fukui Function Indices Have Negative  Values or Not? (TALK)

Japan Chemical Society, Osaka

3.

R. K. Roy

2000

A Very Simple Model To Predict The Preferable Aldol Product From Unsymmetrical Ketones Using Local Hard-Soft Acid-Base Concept. (TALK)

Japan Chemical Society, Tokyo Metropolitan University, Tokyo

4.

R. K. Roy

2000

A Simple Model to predict the preferable reaction product from the unsymmetrical ketones using Local Hard Soft-Acid Base Concept.(POSTER)

University of Mississippi, Vicksburg (USA)

5.

R. K. Roy

2003

Nucleophilic Substitution Reactions of Alkyl Halides: A Case study on DFT based local reactivity descriptors. (TALK)

Theoretical Chemistry Society of India,Kolkata (Jan. 17-19)

6.

R. K. Roy

2004

On The Reliability of Global and Local Electrophilicity Descriptors

(INVITED TALK)

DAE-BRNS Symposium on Theoretical Chemistry, BARC, MUMBAI (Dec. 9-12)

7.

R. K. Roy, V. Usha, J. Paulovic, and K. Hirao

2005

On the Suitability of Local Reactivity Descriptors in Predicting Global Reactivity Trends (POSTER)

FIRST NAREGI International Nanoscience Conference, Nara, Japan (June 14-18)

8.

R. K. Roy

2005

Acetalization and Thioacetalization of Benzaldehyde and Substituted Benzaldehydes: A case study Based on Global and Local Electrophilicity Descriptors (INVITED TALK)

3rd International Conference on Computational Methods in Science and Engineering (ICCMSE - 2005), Loutraki, Korinthos, Greece (Oct. 21-26)

9.

R. K. Roy

2006

Chemoselectivities in Acetalization, Thioacetalization, Oxathioacetalization and Azathioacetalization

(INVITED TALK)

Designing the Molecular World through Chemistry?, Held in BHU under UGC-SAP programme, (March 24 -25, 2006)

10.

R. K. Roy

2006

Chemoselectivities in Acetalization, Thioacetalization, Oxathioacetalization and Azathioacetalization

(POSTER)

XIIth ICQC2006 held in Kyoto

(May 21-26, 2006).

11.

R. K. Roy

2006

DFT Based Reactivity Descriptors in Predicting Rate and Yields of Acetalization and Thioacetalization of Benzaldehyde and Substituted Benzaldehydes (CONTRIBUTED TALK)

"Material-oriented Quantum Chemistry (MOQC)" , A Satellite symposium of XII-ICQC2006;  Held in Osaka (May 27-29, 2006).

12.

R. K. Roy

2006

Correlation of Global Electrophilicity with the Activation Energy of Single-Step Concerted Reactions (INVITED TALK))

Theoretical Chemistry Symposium (TCS) – 2006; Held in Bharatidasan University, Trichi, India

13.

R. K. Roy

2007

One-into-Many’ Model: An Approach on DST Based Reactivity Descriptor to Predict the Regioselectivity of Large Systems (TALK)

Dept. of Applied Chemistry, University of Tokyo, 2007, June (summer)

14.

R. K. Roy

2008

N-dependence Problem of Local Hardness Descriptor (TALK)

Dept. of Applied Chemistry, University of Tokyo, 2008, June (summer)

15.

R.K. Roy

2009

Comprehensive Decomposition Analysis of Stabilization Energy and its Application in Locating the Rate Determining Step of Multi-Step Reactions (INVITED TALK)

Theoretical Chemistry Symposium (TCS) – 2009; Held in IISc Bangalore and JNCASR, Bangalore, January 18-22, 2009.

16.

P. Bagaria, S. Saha, S. Murru, V. Kavala, B. K. Patel and R. K. Roy

2009

A Comprehensive Decomposition Analysis of Stabilization Energy and its Application in Locating the Rate Determining Step of Multi-Step Reactions.(POSTER)

‘Simulations and Dynamics for Nanoscale and Biological Systems’. Held in Univ. of Tokyo, March 3-6, 2009.

17.

R. K. Roy

2010

JSPS stay in Hokkaido Univesity

Application  of  DFT based reactivity descriptors in explaining reactionkinetics and thermodynamics. (POSTER)

Annual Theoretical Chemistry Conference. Hokkaido University, 22-24 May

 A Comprehensive Decomposition Analysis
of Stabilization Energy (CDASE) and Its
Application in Predicting Kinetics, Thermodynamics, Reactivity and Stability of
chemical systems. (TALK)

Fukui Institute of Fundamental Chemistry (FIFC), Kyoto, Japan First week of June, 2010

A Comprehensive Decomposition Analysis of DFT Based Stabilization Energy (CDASE) and Its Relevance to Reaction Kinetics and Thermodynamics. (TALK)

RIKEN, and RICS in AIST, Japan, 2nd week of June, 2010

A Comprehensive Decomposition Analysis of Stabilization energy and Its application in Predicting Kinetics, Thermodynamics, Reactivity and Stability of a chemical systems. (INVITED TALK)

FICS - 2010), IIT Guwahati, Assam (Dec.3-4, 2010)

Density Functional Theory Based Stabilization Energy components and Its Application in Predicting Kinetics, Thermodynamics, Reactivity and Stability of Chemical Systems. (POSTER)

TCS – 2010; Held in IIT Kanpur, December 8-12, 2010

Can hardness Potential Remove N- dependence Problem of Local Hardness? (INVITED TALK)         
(ALSO CHAIRED A SESSION)  

Current Trends in Computational Chemistry (CTCC-2012) NEHU, Shillong, March 16-17, 2012

Use of Density Functional Reactivity Theory in Studying Reaction Kinetics and Thermodynamics (INVITED TALK)

Theoretical Chemistry Symposium (TCS-2012) IIT Guwahati, Assam, Dec 19-22, 2012

Variants of Hardness Potential: Development and Applications (POSTER)
(ALSO CHAIRED A SESSION)

Electronic Structure and Dynamics of Molecules and Clusters (ESDMC), IACS, Kolkata, Feb 17-20, 2013

Use of Density Functional Reactivity Theory (DFRT) based CDASE Scheme in Studying Reaction Kinetics and Thermodynamics
(TALK)

Advanced Institute of Computational Science (AICS), RIKEN, Kobe, Japan, 8th July, 2013.

Use of Density Functional Reactivity Theory in Modeling the Interaction of Nucleobases with Drugs, protecting agents and SWCNTs (POSTER).                                                                  
(ALSO CHAIRED A SESSION)

The 14th Theoretical Chemistry Symposium (TCS-2014), held on 18-21st December, 2014 organized jointly by CSIR-NCL, Pune and IISER, Pune

Density Functional Reactivity Theory Based Approach to Understand the Interactions of Nanosystems (INVITED TALK)

Frontiers in Electronic Structure Theory (FEST-15), Hotel Bogmallo beach resort, Goa, May 26-28, 2015.

Comprehensive Decomposition Analysis of Stabilization Energy (CDASE) Scheme: An Alternative Approach to Understand the Interactions of Nanosystems
(TALK)

Dept. of Chemistry, North Eastern Hill University (NEHU), 2015, 19th August.

Density Functional Reactivity Theory Based Approach to Understand Kinetic and thermodynamic aspects of Interactions of Nano and Biological Systems
(INVITED TALK)

In the national conference named “Design, Synthesis, Interactions, Chemical and Biochemical Activities of Different Functional Molecules” 4-6 February, 2016 at Dept. of Chemistry, Burdwan University, Burdwan, West Bengal.

Charge Transfer Limit of a Chemical Adduct: The Role of Electrostatic Effect
(INVITED TALK)

In the national conference named ‘Theoretical Chemistry Symposium 2016 (TCS 2016)’ held during December14-17, 2016 at University of Hyderabad

On the Search of Stability of a Chemical Adduct
(INVITED TALK)

Charge Transfer Limit of a Chemical Adduct: Density Functional Reactivity Theory (DFRT) based Approach (TALK)

In North West Discussion Meeting on Spectroscopy, Structure and Dynamics (SSD-2017), held during March 18-19, 2017, in BITS-PILANI, Pilani Campus

Charge Transfer Limit of a Chemical Adduct: The Role of Perturbation on External potential
(INVITED TALK)

In Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 8) held during December 15th-17th, 2017 in IIT Mumbai

North West Discussion Meeting on Spectroscopy, Structure and Dynamics (SSD-2018), held during March 16-18, 2018, in Malaviya National Institute of Technology (MNIT), Jaipur.

Chaired a Session

Structure and Dynamics of Molecular and Condensed Matter Systems (ICSD-2020) held during March 1- 4, 2020 in Puri and organized by the Department of Chemistry, IISER Kolkata.

Understanding the Components of Density Functional Reactivity Theory (DFRT) Based Stabilization Energy and Related Applications
(INVITED TALK)

On 13th February, in the Department of Chemistry, IISER Kolkata.

Density Functional Reactivity Theory (DFRT) Based Stabilization Energy Components and their Applications in Reaction Kinetics and Thermodynamics
(INVITED TALK)

Theoretical Chemistry Meeting: Structure and Dynamics (TCMSD-22’ held at IACS, Kolkata during 26-29 May, 2022

Screening the Band Shape of Molecules by Optimal Tuning of Range-Separated Hybrid Functional with TD-DFT: A Molecular Designing Approach
(INVITED TALK)

International Conference on Aggregation Induced Emission – From Fundamentals to Applications (IC-AIE-FA-2022) held at BITS-PILANI, K. K. Birla Goa Campus from 16-18 December, 2022.